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

C20H34N4O — CID 121345662

IUPAC3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide
SMILESCC(C)CCc1nnc(CCC(=O)NC2CCCCC2C)n1C1CC1
InChIInChI=1S/C20H34N4O/c1-14(2)8-11-18-22-23-19(24(18)16-9-10-16)12-13-20(25)21-17-7-5-4-6-15(17)3/h14-17H,4-13H2,1-3H3,(H,21,25)
InChIKeyDQTBBJQTHANAGV-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.83
Rot. Bonds8

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

3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide (PubChem CID 121345662) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide
PubChem CID121345662
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide
SMILESCC(C)CCc1nnc(CCC(=O)NC2CCCCC2C)n1C1CC1
InChIInChI=1S/C20H34N4O/c1-14(2)8-11-18-22-23-19(24(18)16-9-10-16)12-13-20(25)21-17-7-5-4-6-15(17)3/h14-17H,4-13H2,1-3H3,(H,21,25)
InChIKeyDQTBBJQTHANAGV-UHFFFAOYSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)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-(2-methylcyclohexyl)propanamide?
The IUPAC name of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide (CID 121345662) is 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide is CC(C)CCc1nnc(CCC(=O)NC2CCCCC2C)n1C1CC1.
What is the InChIKey of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is DQTBBJQTHANAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-14(2)8-11-18-22-23-19(24(18)16-9-10-16)12-13-20(25)21-17-7-5-4-6-15(17)3/h14-17H,4-13H2,1-3H3,(H,21,25).
What are the key properties of 3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide?
3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 346.52 g/mol, XLogP of 3.83, 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-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 121345662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).