5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine

C10H9N3S — CID 166448175

IUPAC5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine
SMILESCC1Sc2ccccc2-c2cnnn21
InChIInChI=1S/C10H9N3S/c1-7-13-9(6-11-12-13)8-4-2-3-5-10(8)14-7/h2-7H,1H3
InChIKeyALPXJOSSXZMSQA-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.57
Rot. Bonds

About 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine

5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine (PubChem CID 166448175) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine.

Molecular Properties

Compound Name5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine
PubChem CID166448175
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine
SMILESCC1Sc2ccccc2-c2cnnn21
InChIInChI=1S/C10H9N3S/c1-7-13-9(6-11-12-13)8-4-2-3-5-10(8)14-7/h2-7H,1H3
InChIKeyALPXJOSSXZMSQA-UHFFFAOYSA-N
XLogP2.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine?
The IUPAC name of 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine (CID 166448175) is 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine.
What is the SMILES notation for 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine?
The canonical SMILES for 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine is CC1Sc2ccccc2-c2cnnn21.
What is the InChIKey of 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine?
The InChIKey is ALPXJOSSXZMSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-7-13-9(6-11-12-13)8-4-2-3-5-10(8)14-7/h2-7H,1H3.
What are the key properties of 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine?
5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine has a molecular weight of 203.27 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine is sourced from PubChem (CID 166448175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).