2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C10H12N6O — CID 112522186

IUPAC2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESNc1cn(CC(=O)NCc2cccnc2)nn1
InChIInChI=1S/C10H12N6O/c11-9-6-16(15-14-9)7-10(17)13-5-8-2-1-3-12-4-8/h1-4,6H,5,7,11H2,(H,13,17)
InChIKeyWQUGPEKHADYKKQ-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.43
Rot. Bonds4

About 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 112522186) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID112522186
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESNc1cn(CC(=O)NCc2cccnc2)nn1
InChIInChI=1S/C10H12N6O/c11-9-6-16(15-14-9)7-10(17)13-5-8-2-1-3-12-4-8/h1-4,6H,5,7,11H2,(H,13,17)
InChIKeyWQUGPEKHADYKKQ-UHFFFAOYSA-N
XLogP-0.43
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 112530359
2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide
CID 165479292
4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 119055250
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 112522186) is 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is Nc1cn(CC(=O)NCc2cccnc2)nn1.
What is the InChIKey of 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WQUGPEKHADYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c11-9-6-16(15-14-9)7-10(17)13-5-8-2-1-3-12-4-8/h1-4,6H,5,7,11H2,(H,13,17).
What are the key properties of 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 232.25 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 112522186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).