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

HCID 3072001

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Basic information

CAS: 139605-59-7
Standard SMILES: CC1Sc2ccccc2N2CC(=O)NN=C12
InChIKey: QSTDYUOTEGBUHI-UHFFFAOYSA-N
Molecular formula: C11H11N3OS
Average molar mass: 233.29 g/mol
Monoisotopic mass: 233.06228316

Names & identifiers

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

Names & synonyms

3,5-Dihydro-5-methyl-(1,2,4)triazino(3,4-c)(1,4)benzothiazin-2(1H)-one139605-59-7(1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-5-methyl-RefChem:204132DTXSID409305195-Methyl-1,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-ol

Database identifiers

CAS: 139605-59-7
PubChem CID: 3072001
DTXSID: DTXSID40930519
Nikkaji: J454.191J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 70 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 344

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