3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide

C9H16N6O3S — CID 62806660

IUPAC3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C9H16N6O3S/c1-19(17,18)15-4-2-6(3-5-15)11-8(16)7-12-9(10)14-13-7/h6H,2-5H2,1H3,(H,11,16)(H3,10,12,13,14)
InChIKeyUFDVJACNQXLJBW-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.46
Rot. Bonds3

About 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62806660) has the molecular formula C9H16N6O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62806660
Molecular FormulaC9H16N6O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2nc(N)n[nH]2)CC1
InChIInChI=1S/C9H16N6O3S/c1-19(17,18)15-4-2-6(3-5-15)11-8(16)7-12-9(10)14-13-7/h6H,2-5H2,1H3,(H,11,16)(H3,10,12,13,14)
InChIKeyUFDVJACNQXLJBW-UHFFFAOYSA-N
XLogP-1.46
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide 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 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62806660) is 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide is CS(=O)(=O)N1CCC(NC(=O)c2nc(N)n[nH]2)CC1.
What is the InChIKey of 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is UFDVJACNQXLJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3S/c1-19(17,18)15-4-2-6(3-5-15)11-8(16)7-12-9(10)14-13-7/h6H,2-5H2,1H3,(H,11,16)(H3,10,12,13,14).
What are the key properties of 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 288.33 g/mol, XLogP of -1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62806660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).