7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one

HCID 333545

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Basic information

CAS: 68384-31-6
Standard SMILES: Cc1nnc2nc(N)[nH]n2c1=O
InChIKey: BWERHCUSTIXASF-UHFFFAOYSA-N
Molecular formula: C5H6N6O
Average molar mass: 166.14 g/mol
Monoisotopic mass: 166.06030884

Names & identifiers

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

Names & synonyms

68384-31-67-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-oneNSC335649NSC 335649MLS0031708547-Imino-3-methyl-6,7-dihydro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-oneNSC-335649CHEMBL4296895DTXSID90218511GD846586GAAKOS002682477SMR001874771

Show more names

DS-009228[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 7-amino-3-methyl-[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(6H)-one, 7-amino-3-methyl-7-amino-3-methyl-1H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one7-Amino-3-methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(6H)-one7-amino-3-methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(8H)-one7-imino-3-methyl-1,6-dihydro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

Database identifiers

CAS: 68384-31-6
PubChem CID: 333545
DTXSID: DTXSID90218511
ChEMBL: CHEMBL4296895
UNII: GD846586GA

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 95.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 340

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