2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide

C12H16N6O3S — CID 112530359

IUPAC2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)NCCc2cccnc2)nn1
InChIInChI=1S/C12H16N6O3S/c1-22(20,21)16-11-8-18(17-15-11)9-12(19)14-6-4-10-3-2-5-13-7-10/h2-3,5,7-8,16H,4,6,9H2,1H3,(H,14,19)
InChIKeyBUAWGVVHPLVCKX-UHFFFAOYSA-N
MW324.37 g/mol
LogP-0.60
Rot. Bonds7

About 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide

2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 112530359) has the molecular formula C12H16N6O3S and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID112530359
Molecular FormulaC12H16N6O3S
Molecular Weight324.37 g/mol
Exact Mass324.10
IUPAC Name2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)NCCc2cccnc2)nn1
InChIInChI=1S/C12H16N6O3S/c1-22(20,21)16-11-8-18(17-15-11)9-12(19)14-6-4-10-3-2-5-13-7-10/h2-3,5,7-8,16H,4,6,9H2,1H3,(H,14,19)
InChIKeyBUAWGVVHPLVCKX-UHFFFAOYSA-N
XLogP-0.60
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 112530298
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112529386
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 112522186
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520440
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524243
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098
N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112519965
N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521121
N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-pyridin-3-ylpropanamide
CID 122441030
N-(1,3-benzoxazol-2-yl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112528206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide (CID 112530359) is 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide is CS(=O)(=O)Nc1cn(CC(=O)NCCc2cccnc2)nn1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is BUAWGVVHPLVCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S/c1-22(20,21)16-11-8-18(17-15-11)9-12(19)14-6-4-10-3-2-5-13-7-10/h2-3,5,7-8,16H,4,6,9H2,1H3,(H,14,19).
What are the key properties of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide?
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 324.37 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 112530359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).