1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-

HCID 145019

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Basic information

CAS: 83809-88-5
Standard SMILES: Cc1nc2nnc([N+](=O)[O-])c(=O)n2[nH]1
InChIKey: RLDZJUDZXOKLEH-UHFFFAOYSA-N
Molecular formula: C5H4N6O3
Average molar mass: 196.12 g/mol
Monoisotopic mass: 196.03448801

Names & identifiers

Preferred name: 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-
IUPAC: 7-methyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

Names & synonyms

1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-83809-88-5DTXSID30232695RefChem:215273DTXCID601551867-Methyl-3-nitro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(6H)-one

Database identifiers

CAS: 83809-88-5
PubChem CID: 145019
DTXSID: DTXSID30232695

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 115 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 416

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