6-Chloro-3-methyl-8-nitro-(1,2,4)triazolo(4,3-b)pyridazin-7-ylamine

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Basic information

CAS: 81450-31-9
Standard SMILES: Cc1nnc2c([N+](=O)[O-])c(N)c(Cl)nn12
InChIKey: CXFKSGGFPHMUSK-UHFFFAOYSA-N
Molecular formula: C6H5ClN6O2
Average molar mass: 228.59 g/mol
Monoisotopic mass: 228.0162511

Names & identifiers

Preferred name: 6-Chloro-3-methyl-8-nitro-(1,2,4)triazolo(4,3-b)pyridazin-7-ylamine
IUPAC: 6-chloro-3-methyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine

Names & synonyms

81450-31-96-Chloro-3-methyl-8-nitro-(1,2,4)triazolo(4,3-b)pyridazin-7-ylamineNSC366878NSC 3668786-Chloro-3-methyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-ylamine6-chloro-3-methyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amineDTXSID80231113NSC-366878DS-0090346-Chloro-3-methyl-8-nitro[1,2,4]triazolo[4,3-b]pyridazin-7-amine

Database identifiers

CAS: 81450-31-9
PubChem CID: 339585
DTXSID: DTXSID80231113

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 115 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 273

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Compound notes

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