2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide

C15H14N6O — CID 82211721

IUPAC2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide
SMILESNc1ccc(-c2cnnn2CC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H14N6O/c16-12-6-4-11(5-7-12)13-9-18-20-21(13)10-15(22)19-14-3-1-2-8-17-14/h1-9H,10,16H2,(H,17,19,22)
InChIKeyKDUOKAQCAPBXKW-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.56
Rot. Bonds4

About 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide

2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 82211721) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide
PubChem CID82211721
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide
SMILESNc1ccc(-c2cnnn2CC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H14N6O/c16-12-6-4-11(5-7-12)13-9-18-20-21(13)10-15(22)19-14-3-1-2-8-17-14/h1-9H,10,16H2,(H,17,19,22)
InChIKeyKDUOKAQCAPBXKW-UHFFFAOYSA-N
XLogP1.56
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid
CID 84758880
(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide
CID 115342586
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
2-(4-aminophenyl)-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 23730002
3-[5-methyl-1-[2-oxo-2-(pyridin-2-ylamino)ethyl]triazol-4-yl]propanoic acid
CID 82211717

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide (CID 82211721) is 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide is Nc1ccc(-c2cnnn2CC(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is KDUOKAQCAPBXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c16-12-6-4-11(5-7-12)13-9-18-20-21(13)10-15(22)19-14-3-1-2-8-17-14/h1-9H,10,16H2,(H,17,19,22).
What are the key properties of 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide?
2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 294.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminophenyl)triazol-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 82211721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).