3-(1,2,4-triazol-1-ylsulfonyl)pyridine

C7H6N4O2S — CID 171687213

IUPAC3-(1,2,4-triazol-1-ylsulfonyl)pyridine
SMILESO=S(=O)(c1cccnc1)n1cncn1
InChIInChI=1S/C7H6N4O2S/c12-14(13,11-6-9-5-10-11)7-2-1-3-8-4-7/h1-6H
InChIKeyLBQFWDRVXUJAAR-UHFFFAOYSA-N
MW210.22 g/mol
LogP-0.09
Rot. Bonds2

About 3-(1,2,4-triazol-1-ylsulfonyl)pyridine

3-(1,2,4-triazol-1-ylsulfonyl)pyridine (PubChem CID 171687213) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-ylsulfonyl)pyridine.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-ylsulfonyl)pyridine
PubChem CID171687213
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name3-(1,2,4-triazol-1-ylsulfonyl)pyridine
SMILESO=S(=O)(c1cccnc1)n1cncn1
InChIInChI=1S/C7H6N4O2S/c12-14(13,11-6-9-5-10-11)7-2-1-3-8-4-7/h1-6H
InChIKeyLBQFWDRVXUJAAR-UHFFFAOYSA-N
XLogP-0.09
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
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
[1,2,4]Triazolo[1,5-a]pyridine-6-sulfonyl chloride
CID 83821830
N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84601039
4-[2-(2-(1,2,4-Triazol-4-yl)-2-azavinyl)pyrrolyl]benzenesulfonamide
CID 672366
3-{[2-(4-Propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]sulfonyl}pyridine
CID 87052146
N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-3-pyridinesulfonamide
CID 91922641
Pyridine-3-sulfonyl azide
CID 11816261
N-(5-amino-1h-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
CID 167530436
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
CID 125436272
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 3-(1,2,4-triazol-1-ylsulfonyl)pyridine?
The IUPAC name of 3-(1,2,4-triazol-1-ylsulfonyl)pyridine (CID 171687213) is 3-(1,2,4-triazol-1-ylsulfonyl)pyridine.
What is the SMILES notation for 3-(1,2,4-triazol-1-ylsulfonyl)pyridine?
The canonical SMILES for 3-(1,2,4-triazol-1-ylsulfonyl)pyridine is O=S(=O)(c1cccnc1)n1cncn1.
What is the InChIKey of 3-(1,2,4-triazol-1-ylsulfonyl)pyridine?
The InChIKey is LBQFWDRVXUJAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c12-14(13,11-6-9-5-10-11)7-2-1-3-8-4-7/h1-6H.
What are the key properties of 3-(1,2,4-triazol-1-ylsulfonyl)pyridine?
3-(1,2,4-triazol-1-ylsulfonyl)pyridine has a molecular weight of 210.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-ylsulfonyl)pyridine is sourced from PubChem (CID 171687213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).