N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide

C11H13N5O — CID 16788251

IUPACN-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)n1cncn1
InChIInChI=1S/C11H13N5O/c1-8(16-7-13-6-14-16)11(17)15-10-4-2-9(12)3-5-10/h2-8H,12H2,1H3,(H,15,17)
InChIKeyJIILXZLKCRZMIC-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.06
Rot. Bonds3

About N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 16788251) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID16788251
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)n1cncn1
InChIInChI=1S/C11H13N5O/c1-8(16-7-13-6-14-16)11(17)15-10-4-2-9(12)3-5-10/h2-8H,12H2,1H3,(H,15,17)
InChIKeyJIILXZLKCRZMIC-UHFFFAOYSA-N
XLogP1.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide 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

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 4846985
N-(4-fluorophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4886256
N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455
N-(2-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511818
N-[4-(4H-1,2,4-triazol-4-yl)phenyl]acetamide
CID 4086562
N-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2985272
2-(3-nitro-1,2,4-triazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 52280991
N-(3-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511817
1-[4-(4-fluorophenyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 4304418
N-[4-(acetylamino)phenyl]-3-(1H-tetrazol-1-yl)propanamide
CID 5297376
N-[4-(1H-tetrazol-1-yl)phenyl]acetamide
CID 539520
N-(4-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511454

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 16788251) is N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(N)cc1)n1cncn1.
What is the InChIKey of N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JIILXZLKCRZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8(16-7-13-6-14-16)11(17)15-10-4-2-9(12)3-5-10/h2-8H,12H2,1H3,(H,15,17).
What are the key properties of N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 231.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 16788251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).