N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine

C17H28N4 — CID 86803539

IUPACN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C17H28N4/c1-12-5-3-4-6-15(12)20(2)11-16-18-19-17(13-7-8-13)21(16)14-9-10-14/h12-15H,3-11H2,1-2H3
InChIKeyONURQICLVRDFQL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.50
Rot. Bonds5

About N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 86803539) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID86803539
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C17H28N4/c1-12-5-3-4-6-15(12)20(2)11-16-18-19-17(13-7-8-13)21(16)14-9-10-14/h12-15H,3-11H2,1-2H3
InChIKeyONURQICLVRDFQL-UHFFFAOYSA-N
XLogP3.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine 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-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 86803539) is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is ONURQICLVRDFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-12-5-3-4-6-15(12)20(2)11-16-18-19-17(13-7-8-13)21(16)14-9-10-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 86803539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).