6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid

C11H13N5O4S — CID 64512592

IUPAC6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(CN(C)S(=O)(=O)c2ccc(C(=O)O)cn2)n[nH]1
InChIInChI=1S/C11H13N5O4S/c1-7-13-9(15-14-7)6-16(2)21(19,20)10-4-3-8(5-12-10)11(17)18/h3-5H,6H2,1-2H3,(H,17,18)(H,13,14,15)
InChIKeyOFGFWSWMMDLPLJ-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.03
Rot. Bonds5

About 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid

6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 64512592) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid
PubChem CID64512592
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(CN(C)S(=O)(=O)c2ccc(C(=O)O)cn2)n[nH]1
InChIInChI=1S/C11H13N5O4S/c1-7-13-9(15-14-7)6-16(2)21(19,20)10-4-3-8(5-12-10)11(17)18/h3-5H,6H2,1-2H3,(H,17,18)(H,13,14,15)
InChIKeyOFGFWSWMMDLPLJ-UHFFFAOYSA-N
XLogP0.03
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid (CID 64512592) is 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid is Cc1nc(CN(C)S(=O)(=O)c2ccc(C(=O)O)cn2)n[nH]1.
What is the InChIKey of 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is OFGFWSWMMDLPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-7-13-9(15-14-7)6-16(2)21(19,20)10-4-3-8(5-12-10)11(17)18/h3-5H,6H2,1-2H3,(H,17,18)(H,13,14,15).
What are the key properties of 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid?
6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64512592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).