4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

C15H14N6O — CID 82569633

IUPAC4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESNc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1
InChIInChI=1S/C15H14N6O/c16-12-3-1-11(2-4-12)15(22)18-9-13-19-14(21-20-13)10-5-7-17-8-6-10/h1-8H,9,16H2,(H,18,22)(H,19,20,21)
InChIKeyVXRPCIZOVSUUNA-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.38
Rot. Bonds4

About 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 82569633) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID82569633
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESNc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1
InChIInChI=1S/C15H14N6O/c16-12-3-1-11(2-4-12)15(22)18-9-13-19-14(21-20-13)10-5-7-17-8-6-10/h1-8H,9,16H2,(H,18,22)(H,19,20,21)
InChIKeyVXRPCIZOVSUUNA-UHFFFAOYSA-N
XLogP1.38
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
4-amino-N-[[3-[4-(dimethylamino)phenyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569650
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
4-amino-N-[[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569669
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 11264149
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
4-amino-N-[[3-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569660
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 117074450
4-amino-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569643
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
8-(aminomethyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166363008
3-(furan-2-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 91773049

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 82569633) is 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is Nc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1.
What is the InChIKey of 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is VXRPCIZOVSUUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c16-12-3-1-11(2-4-12)15(22)18-9-13-19-14(21-20-13)10-5-7-17-8-6-10/h1-8H,9,16H2,(H,18,22)(H,19,20,21).
What are the key properties of 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 294.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 82569633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).