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

C9H12N6O2S — CID 106283511

IUPAC3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ncccc1N)c1ncn[nH]1
InChIInChI=1S/C9H12N6O2S/c1-6(8-12-5-13-14-8)15-18(16,17)9-7(10)3-2-4-11-9/h2-6,15H,10H2,1H3,(H,12,13,14)
InChIKeyWHAGMQGYPJCDDE-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.18
Rot. Bonds4

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

3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide (PubChem CID 106283511) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
PubChem CID106283511
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ncccc1N)c1ncn[nH]1
InChIInChI=1S/C9H12N6O2S/c1-6(8-12-5-13-14-8)15-18(16,17)9-7(10)3-2-4-11-9/h2-6,15H,10H2,1H3,(H,12,13,14)
InChIKeyWHAGMQGYPJCDDE-UHFFFAOYSA-N
XLogP-0.18
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-propan-2-ylpyridine-2-sulfonamide
CID 103303655
3-amino-N-(1-phenylethyl)pyridine-2-sulfonamide
CID 103303814
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
2-amino-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281114
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281139
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide
CID 103885404
5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281132
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103305354
3-amino-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283475
3-amino-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281112
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide (CID 106283511) is 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide is CC(NS(=O)(=O)c1ncccc1N)c1ncn[nH]1.
What is the InChIKey of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide?
The InChIKey is WHAGMQGYPJCDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-6(8-12-5-13-14-8)15-18(16,17)9-7(10)3-2-4-11-9/h2-6,15H,10H2,1H3,(H,12,13,14).
What are the key properties of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide?
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 106283511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).