(1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one

C11H12N4OS — CID 129410149

IUPAC(1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one
SMILESC[C@@H]1C(=O)NN=C2CSc3ccc(N)cc3N21
InChIInChI=1S/C11H12N4OS/c1-6-11(16)14-13-10-5-17-9-3-2-7(12)4-8(9)15(6)10/h2-4,6H,5,12H2,1H3,(H,14,16)/t6-/m1/s1
InChIKeyMHLQMQPYGRGIOP-ZCFIWIBFSA-N
MW248.31 g/mol
LogP1.01
Rot. Bonds

About (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one

(1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one (PubChem CID 129410149) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one.

Molecular Properties

Compound Name(1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one
PubChem CID129410149
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name(1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one
SMILESC[C@@H]1C(=O)NN=C2CSc3ccc(N)cc3N21
InChIInChI=1S/C11H12N4OS/c1-6-11(16)14-13-10-5-17-9-3-2-7(12)4-8(9)15(6)10/h2-4,6H,5,12H2,1H3,(H,14,16)/t6-/m1/s1
InChIKeyMHLQMQPYGRGIOP-ZCFIWIBFSA-N
XLogP1.01
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one?
The IUPAC name of (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one (CID 129410149) is (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one.
What is the SMILES notation for (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one?
The canonical SMILES for (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one is C[C@@H]1C(=O)NN=C2CSc3ccc(N)cc3N21.
What is the InChIKey of (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one?
The InChIKey is MHLQMQPYGRGIOP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-11(16)14-13-10-5-17-9-3-2-7(12)4-8(9)15(6)10/h2-4,6H,5,12H2,1H3,(H,14,16)/t6-/m1/s1.
What are the key properties of (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one?
(1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one has a molecular weight of 248.31 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one is sourced from PubChem (CID 129410149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).