3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Basic Information

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CAS Number

85622-93-1

Molecular Formula

C6H6N6O2

Molecular Weight

194.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

199-212°C

Boiling Point

526.6°C at 760 mmHg

Density

2.0±0.1 g/cm3

Flash Point

272.3±27.9 °C

Solubility

DMSO: soluble10mg/mL, clear

SMILES

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Cn1c(=O)n2cnc(c2nn1)C(=O)N

InChI

InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)

InChIKey

BPEGJWRSRHCHSN-UHFFFAOYSA-N

LogP

-2.0781

Topological Polar Surface Area

108.17 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

315

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H340 May cause genetic defects
Germ cell mutagenicity

H350 May cause cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Sensitiveness

thermally sensitive

Synonyms & References

English

3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
4-Methyl-5-oxo-2,3,4,6,8-pentazabicyclo[4.3.0]nona-2,7,9-triene-9-carboxamide
Temozolomide
3-Methyl-4-oxo-3,4-dihydroimidazo-[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Temozolamide
Temozolomid
CCRG 81045
NSC 362856
temodar
TEMODAR TEMOZOLOMIDE
temosolomide
TZM
3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide
3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Methazolastone
Temodal
Temozolomidum [Latin]
Temozolodida [Spanish]
Temozolomidum
Sch 52365
MB 39831
M&B 39831
8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one
M & B 39831
3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide
3-Methyl-
TMZ

MDL Number

MFCD00866492

Customs Code

2933990090

FAQ

What is 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CAS: 85622-93-1)?

3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CAS: 85622-93-1) is a heterocyclic compound containing an imidazotetrazine ring system. It features a carboxamide functional group and exhibits structural complexity typical of synthetic organic chemicals. The compound is often studied for its potential biological activity and is used in research contexts involving pharmaceutical development.

What are the main uses of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CAS: 85622-93-1)?

3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CAS: 85622-93-1) is primarily utilized in pharmaceutical research as a potential lead compound for drug discovery. Its unique structure may offer applications in developing treatments for specific medical conditions. It is also explored in chemical synthesis for its reactivity and role in creating complex molecules for industrial or academic purposes.

Is 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CAS: 85622-93-1) safe?

Safety of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CAS: 85622-93-1) depends on handling conditions. Limited toxicity data exists, but standard precautions apply, such as wearing gloves, goggles, and a lab coat to avoid skin or inhalation exposure. It should be handled in a well-ventilated area and stored according to safety guidelines to minimize risks.

How should 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CAS: 85622-93-1) be stored?

3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CAS: 85622-93-1) should be stored in a cool, dry place, away from direct light. Keep in a sealed, airtight container to prevent moisture absorption and maintain stability. Avoid exposure to incompatible substances and ensure proper labeling for safe handling and storage.