N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide

C7H8N6O2S — CID 167530436

IUPACN-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
SMILESNc1nc(NS(=O)(=O)c2cccnc2)n[nH]1
InChIInChI=1S/C7H8N6O2S/c8-6-10-7(12-11-6)13-16(14,15)5-2-1-3-9-4-5/h1-4H,(H4,8,10,11,12,13)
InChIKeyHBMZLZQBHLMNJN-UHFFFAOYSA-N
MW240.25 g/mol
LogP-0.42
Rot. Bonds3

About N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide

N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide (PubChem CID 167530436) has the molecular formula C7H8N6O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
PubChem CID167530436
Molecular FormulaC7H8N6O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC NameN-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
SMILESNc1nc(NS(=O)(=O)c2cccnc2)n[nH]1
InChIInChI=1S/C7H8N6O2S/c8-6-10-7(12-11-6)13-16(14,15)5-2-1-3-9-4-5/h1-4H,(H4,8,10,11,12,13)
InChIKeyHBMZLZQBHLMNJN-UHFFFAOYSA-N
XLogP-0.42
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953
4-(1-Methyl-5-tetrazolylthio)pyridine-3-sulfonamide
CID 46703925
4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 162670399
Pyridine, 2-((1H-1,2,4-triazol-3-yl)thio)-, hydrobromide
CID 11971497
2-Hydrazinylpyridine-3-sulfonamide
CID 12567026
3-(1,2,4-Triazol-1-ylsulfonyl)pyridine
CID 171687213
5-[(E)-2-pyridylmethyleneamino]-4H-1,2,4-triazol-3-amine
CID 71598013
5-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
CID 84589528
2-amino-N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 121538210
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 121567925
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 125446416
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 164627567

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide (CID 167530436) is N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide is Nc1nc(NS(=O)(=O)c2cccnc2)n[nH]1.
What is the InChIKey of N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is HBMZLZQBHLMNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S/c8-6-10-7(12-11-6)13-16(14,15)5-2-1-3-9-4-5/h1-4H,(H4,8,10,11,12,13).
What are the key properties of N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide?
N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 240.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 167530436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).