N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C18H17N5O2 — CID 5157101

IUPACN-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C18H17N5O2/c24-17(19-11-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-18(25)16-20-12-21-23-16/h1-9,12H,10-11H2,(H,19,24)(H,22,25)(H,20,21,23)
InChIKeyRPSGMLDNDWVWLU-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.03
Rot. Bonds6

About N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 5157101) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID5157101
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C18H17N5O2/c24-17(19-11-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-18(25)16-20-12-21-23-16/h1-9,12H,10-11H2,(H,19,24)(H,22,25)(H,20,21,23)
InChIKeyRPSGMLDNDWVWLU-UHFFFAOYSA-N
XLogP2.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 5157101) is N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ncn[nH]2)cc1.
What is the InChIKey of N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is RPSGMLDNDWVWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(19-11-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-18(25)16-20-12-21-23-16/h1-9,12H,10-11H2,(H,19,24)(H,22,25)(H,20,21,23).
What are the key properties of N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 5157101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).