5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide

C11H15N5O3S — CID 136813028

IUPAC5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCc1cc(=O)c(-c2nnc(S(N)(=O)=O)n2C(C)C)c[nH]1
InChIInChI=1S/C11H15N5O3S/c1-6(2)16-10(14-15-11(16)20(12,18)19)8-5-13-7(3)4-9(8)17/h4-6H,1-3H3,(H,13,17)(H2,12,18,19)
InChIKeyGXPHGKGIKGZOSL-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.17
Rot. Bonds3

About 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide

5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (PubChem CID 136813028) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
PubChem CID136813028
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCc1cc(=O)c(-c2nnc(S(N)(=O)=O)n2C(C)C)c[nH]1
InChIInChI=1S/C11H15N5O3S/c1-6(2)16-10(14-15-11(16)20(12,18)19)8-5-13-7(3)4-9(8)17/h4-6H,1-3H3,(H,13,17)(H2,12,18,19)
InChIKeyGXPHGKGIKGZOSL-UHFFFAOYSA-N
XLogP0.17
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide with MolForge

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Related Compounds

5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 136966660
5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366285
4-(2-methoxyethyl)-5-(6-methyl-4-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 136813012
5-(3-chloro-4-methylthiophen-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 103407313
5-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one
CID 136812230
5-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methyl-1H-pyridin-4-one
CID 136812988
5-[(3-methylphenyl)methyl]-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366306
5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 107003774
5-(4-bromo-2-methylphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 113366045
5-(2,3-dimethylphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 113366057
4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide
CID 113366305
5-heptyl-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366295

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (CID 136813028) is 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is Cc1cc(=O)c(-c2nnc(S(N)(=O)=O)n2C(C)C)c[nH]1.
What is the InChIKey of 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The InChIKey is GXPHGKGIKGZOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-6(2)16-10(14-15-11(16)20(12,18)19)8-5-13-7(3)4-9(8)17/h4-6H,1-3H3,(H,13,17)(H2,12,18,19).
What are the key properties of 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 136813028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).