3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C13H16N4O — CID 113246893

IUPAC3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C13H16N4O/c1-10(13-14-9-15-17-13)16-12(18)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyBDHQRDIFQSNLRP-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.61
Rot. Bonds5

About 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 113246893) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID113246893
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C13H16N4O/c1-10(13-14-9-15-17-13)16-12(18)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyBDHQRDIFQSNLRP-UHFFFAOYSA-N
XLogP1.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]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

3-(3-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281036
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716323
3-(2-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725941
3-(2-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 107329630
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
3-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725840
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
1-phenyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103886618
N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-phenylpropanamide
CID 7451536
N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide
CID 103722946
2-(2-ethoxyphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716236
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 113246893) is 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is CC(NC(=O)CCc1ccccc1)c1ncn[nH]1.
What is the InChIKey of 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is BDHQRDIFQSNLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(13-14-9-15-17-13)16-12(18)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 113246893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).