2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide

C11H12N6O2 — CID 112524098

IUPAC2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2cccnc2)nn1
InChIInChI=1S/C11H12N6O2/c1-8(18)13-10-6-17(16-15-10)7-11(19)14-9-3-2-4-12-5-9/h2-6H,7H2,1H3,(H,13,18)(H,14,19)
InChIKeyBVAXHBKGPCIZSA-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.27
Rot. Bonds4

About 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide

2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide (PubChem CID 112524098) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
PubChem CID112524098
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2cccnc2)nn1
InChIInChI=1S/C11H12N6O2/c1-8(18)13-10-6-17(16-15-10)7-11(19)14-9-3-2-4-12-5-9/h2-6H,7H2,1H3,(H,13,18)(H,14,19)
InChIKeyBVAXHBKGPCIZSA-UHFFFAOYSA-N
XLogP0.27
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 112525060
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 112521770
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 112525667
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112525274

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide (CID 112524098) is 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide is CC(=O)Nc1cn(CC(=O)Nc2cccnc2)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide?
The InChIKey is BVAXHBKGPCIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-8(18)13-10-6-17(16-15-10)7-11(19)14-9-3-2-4-12-5-9/h2-6H,7H2,1H3,(H,13,18)(H,14,19).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide?
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide has a molecular weight of 260.26 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 112524098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).