2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine

C13H11N5O2S — CID 969953

IUPAC2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N5O2S/c14-13-16-12(10-5-4-8-15-9-10)17-18(13)21(19,20)11-6-2-1-3-7-11/h1-9H,(H2,14,16,17)
InChIKeyGHWMKHGYNCADMV-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.16
Rot. Bonds3

About 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine

2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine (PubChem CID 969953) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine
PubChem CID969953
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N5O2S/c14-13-16-12(10-5-4-8-15-9-10)17-18(13)21(19,20)11-6-2-1-3-7-11/h1-9H,(H2,14,16,17)
InChIKeyGHWMKHGYNCADMV-UHFFFAOYSA-N
XLogP1.16
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
N-(Pyrimidin-2-yl)-4-(1H-tetrazol-1-yl)benzenesulfonamide
CID 856008
3-cyano-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 9508066
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 852078
5-Methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 12991484
2-[5-(2-Fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991487
2-[5-(4-Fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991491
5-Methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226668
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide
CID 42623223
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-benzylpyridine-3-sulfonamide
CID 42623224
5-(2-Amino[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-3-pyridinesulfonamide
CID 42623632

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine (CID 969953) is 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine is Nc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The InChIKey is GHWMKHGYNCADMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c14-13-16-12(10-5-4-8-15-9-10)17-18(13)21(19,20)11-6-2-1-3-7-11/h1-9H,(H2,14,16,17).
What are the key properties of 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine?
2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine has a molecular weight of 301.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 969953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).