3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide

C19H17N5O — CID 84590718

IUPAC3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide
SMILESCc1nc(-c2cccc(C#N)c2)nn1CCC(=O)Nc1ccccc1
InChIInChI=1S/C19H17N5O/c1-14-21-19(16-7-5-6-15(12-16)13-20)23-24(14)11-10-18(25)22-17-8-3-2-4-9-17/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyBXTMDJWKWDRYPU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.15
Rot. Bonds5

About 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide

3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide (PubChem CID 84590718) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide
PubChem CID84590718
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide
SMILESCc1nc(-c2cccc(C#N)c2)nn1CCC(=O)Nc1ccccc1
InChIInChI=1S/C19H17N5O/c1-14-21-19(16-7-5-6-15(12-16)13-20)23-24(14)11-10-18(25)22-17-8-3-2-4-9-17/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyBXTMDJWKWDRYPU-UHFFFAOYSA-N
XLogP3.15
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide 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 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide (CID 84590718) is 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide is Cc1nc(-c2cccc(C#N)c2)nn1CCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide?
The InChIKey is BXTMDJWKWDRYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-14-21-19(16-7-5-6-15(12-16)13-20)23-24(14)11-10-18(25)22-17-8-3-2-4-9-17/h2-9,12H,10-11H2,1H3,(H,22,25).
What are the key properties of 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide?
3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide has a molecular weight of 331.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 84590718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).