2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine

C11H11N3S — CID 10036295

IUPAC2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine
SMILESCC1=NN=C2CSc3ccccc3N2C1
InChIInChI=1S/C11H11N3S/c1-8-6-14-9-4-2-3-5-10(9)15-7-11(14)13-12-8/h2-5H,6-7H2,1H3
InChIKeyNOGKVJRWFHTSQE-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.39
Rot. Bonds

About 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine

2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine (PubChem CID 10036295) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine
PubChem CID10036295
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine
SMILESCC1=NN=C2CSc3ccccc3N2C1
InChIInChI=1S/C11H11N3S/c1-8-6-14-9-4-2-3-5-10(9)15-7-11(14)13-12-8/h2-5H,6-7H2,1H3
InChIKeyNOGKVJRWFHTSQE-UHFFFAOYSA-N
XLogP2.39
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine?
The IUPAC name of 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine (CID 10036295) is 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine?
The canonical SMILES for 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine is CC1=NN=C2CSc3ccccc3N2C1.
What is the InChIKey of 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine?
The InChIKey is NOGKVJRWFHTSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-8-6-14-9-4-2-3-5-10(9)15-7-11(14)13-12-8/h2-5H,6-7H2,1H3.
What are the key properties of 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine?
2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine has a molecular weight of 217.30 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 10036295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).