N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide

C12H11FN6O — CID 62951791

IUPACN-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(N)ccc1F)n1cnc(C#N)n1
InChIInChI=1S/C12H11FN6O/c1-7(19-6-16-11(5-14)18-19)12(20)17-10-4-8(15)2-3-9(10)13/h2-4,6-7H,15H2,1H3,(H,17,20)
InChIKeyJZVXKYKAKDDBJE-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.07
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide (PubChem CID 62951791) has the molecular formula C12H11FN6O and a molecular weight of 274.26 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide
PubChem CID62951791
Molecular FormulaC12H11FN6O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(N)ccc1F)n1cnc(C#N)n1
InChIInChI=1S/C12H11FN6O/c1-7(19-6-16-11(5-14)18-19)12(20)17-10-4-8(15)2-3-9(10)13/h2-4,6-7H,15H2,1H3,(H,17,20)
InChIKeyJZVXKYKAKDDBJE-UHFFFAOYSA-N
XLogP1.07
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-(3-cyano-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

N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide
CID 62349835
2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide
CID 63580014
N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16786188
N-(5-amino-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 55157356
N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66391278
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355524
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide (CID 62951791) is N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1cc(N)ccc1F)n1cnc(C#N)n1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide?
The InChIKey is JZVXKYKAKDDBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O/c1-7(19-6-16-11(5-14)18-19)12(20)17-10-4-8(15)2-3-9(10)13/h2-4,6-7H,15H2,1H3,(H,17,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide has a molecular weight of 274.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 62951791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).