4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

C14H12N6O — CID 51983091

IUPAC4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccnc2-n2cncn2)cc1
InChIInChI=1S/C14H12N6O/c15-11-5-3-10(4-6-11)14(21)19-12-2-1-7-17-13(12)20-9-16-8-18-20/h1-9H,15H2,(H,19,21)
InChIKeyIGCAWIGANXDHPC-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.50
Rot. Bonds3

About 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 51983091) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
PubChem CID51983091
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccnc2-n2cncn2)cc1
InChIInChI=1S/C14H12N6O/c15-11-5-3-10(4-6-11)14(21)19-12-2-1-7-17-13(12)20-9-16-8-18-20/h1-9H,15H2,(H,19,21)
InChIKeyIGCAWIGANXDHPC-UHFFFAOYSA-N
XLogP1.50
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.50
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

6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide
CID 61170515
2-bromo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 103752649
4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 61166742
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600
5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 51098015
4-oxo-4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]but-2-enoic acid
CID 61167729
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
CID 167868250
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 81087312
2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 64822462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (CID 51983091) is 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is Nc1ccc(C(=O)Nc2cccnc2-n2cncn2)cc1.
What is the InChIKey of 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is IGCAWIGANXDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-11-5-3-10(4-6-11)14(21)19-12-2-1-7-17-13(12)20-9-16-8-18-20/h1-9H,15H2,(H,19,21).
What are the key properties of 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 280.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 51983091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).