(1,2,4)Triazino(3,4-c)(1,4)benzoxazin-2(1H)-one, 3,5-dihydro-5-methyl-

HCID 3071997

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Basic information

CAS: 139605-55-3
Standard SMILES: CC1Oc2ccccc2N2CC(=O)NN=C12
InChIKey: WJKGDWAEPLNYSH-UHFFFAOYSA-N
Molecular formula: C11H11N3O2
Average molar mass: 217.22 g/mol
Monoisotopic mass: 217.0851266

Names & identifiers

Preferred name: (1,2,4)Triazino(3,4-c)(1,4)benzoxazin-2(1H)-one, 3,5-dihydro-5-methyl-
IUPAC: 5-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

Names & synonyms

3,5-Dihydro-5-methyl-(1,2,4)triazino(3,4-c)(1,4)benzoxazin-2(1H)-one139605-55-3(1,2,4)Triazino(3,4-c)(1,4)benzoxazin-2(1H)-one, 3,5-dihydro-5-methyl-RefChem:204136DTXSID809305185-Methyl-1,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-ol

Database identifiers

CAS: 139605-55-3
PubChem CID: 3071997
DTXSID: DTXSID80930518
Nikkaji: J454.187A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 53.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 342

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