7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

HCID 10244065

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Basic information

CAS: 143007-00-5
Standard SMILES: O=c1[nH]c2cc(Cl)c(Cl)cc2n2cnnc12
InChIKey: IESYTBDOVCIPKA-UHFFFAOYSA-N
Molecular formula: C9H4Cl2N4O
Average molar mass: 255.06 g/mol
Monoisotopic mass: 253.9762162

Names & identifiers

Preferred name: 7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
IUPAC: 7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

Names & synonyms

143007-00-57,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-oneCHEMBL1123867,8-Dichloro-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-oneSCHEMBL9037767DTXSID304372697,8-Dichloro[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-oneBDBM50002707

Database identifiers

CAS: 143007-00-5
PubChem CID: 10244065
DTXSID: DTXSID30437269
ChEMBL: CHEMBL112386
Nikkaji: J510.307J

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 59.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 316

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