temozolomide

3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

CAS: 85622-93-1

Molecular Formula	`C6H6N6O2`
Molecular Weight	194.15 g/mol
LogP	-1.1
Topological Polar Surface Area	106.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	194.05522
Heavy Atoms	14
Complexity	315.0

Chemical Identifiers

CAS Number	85622-93-1
SMILES	`CN1C(=O)N2C=NC(=C2N=N1)C(=O)N`
InChIKey	`BPEGJWRSRHCHSN-UHFFFAOYSA-N`

📖 Product Overview

temozolomide (CAS: 85622-93-1) is a chemical compound with molecular formula C6H6N6O2 and molecular weight 194.15 g/mol. Its IUPAC systematic name is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide. LogP -1.1 Topological Polar Surface Area 106.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 194.05522 Heavy Atoms 14 Complexity 315.0 InChI Key: BPEGJWRSRHCHSN-UHFFFAOYSA-N. SMILES: CN1C(=O)N2C=NC(=C2N=N1)C(=O)N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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