3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide

C20H28N4O — CID 74222099

IUPAC3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(CCC(C)C)n2C2CC2)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)4-11-18-22-23-19(24(18)17-9-10-17)12-13-20(25)21-16-7-5-15(3)6-8-16/h5-8,14,17H,4,9-13H2,1-3H3,(H,21,25)
InChIKeyPNVKMWNJGPHIKA-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.08
Rot. Bonds8

About 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide

3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide (PubChem CID 74222099) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide
PubChem CID74222099
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(CCC(C)C)n2C2CC2)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)4-11-18-22-23-19(24(18)17-9-10-17)12-13-20(25)21-16-7-5-15(3)6-8-16/h5-8,14,17H,4,9-13H2,1-3H3,(H,21,25)
InChIKeyPNVKMWNJGPHIKA-UHFFFAOYSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide 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-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide (CID 74222099) is 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2nnc(CCC(C)C)n2C2CC2)cc1.
What is the InChIKey of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is PNVKMWNJGPHIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)4-11-18-22-23-19(24(18)17-9-10-17)12-13-20(25)21-16-7-5-15(3)6-8-16/h5-8,14,17H,4,9-13H2,1-3H3,(H,21,25).
What are the key properties of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide?
3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 74222099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).