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

C9H12N6O2S — CID 113413216

IUPAC4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)NCCn1ccnn1
InChIInChI=1S/C9H12N6O2S/c10-8-1-2-11-7-9(8)18(16,17)13-4-6-15-5-3-12-14-15/h1-3,5,7,13H,4,6H2,(H2,10,11)
InChIKeyNERHGZDYACIKOP-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.77
Rot. Bonds5

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

4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 113413216) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
PubChem CID113413216
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)NCCn1ccnn1
InChIInChI=1S/C9H12N6O2S/c10-8-1-2-11-7-9(8)18(16,17)13-4-6-15-5-3-12-14-15/h1-3,5,7,13H,4,6H2,(H2,10,11)
InChIKeyNERHGZDYACIKOP-UHFFFAOYSA-N
XLogP-0.77
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159
4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 116528824
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077256
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
4-(aminomethyl)-2-fluoro-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077035
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077026
3-(ethylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-2-sulfonamide
CID 103307155
4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide
CID 88944337
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide (CID 113413216) is 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide is Nc1ccncc1S(=O)(=O)NCCn1ccnn1.
What is the InChIKey of 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is NERHGZDYACIKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c10-8-1-2-11-7-9(8)18(16,17)13-4-6-15-5-3-12-14-15/h1-3,5,7,13H,4,6H2,(H2,10,11).
What are the key properties of 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide?
4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 268.30 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 113413216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).