[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine

C15H26N4 — CID 115444888

IUPAC[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
SMILESNCC1(c2nncn2C2CCCC2)CCCCCC1
InChIInChI=1S/C15H26N4/c16-11-15(9-5-1-2-6-10-15)14-18-17-12-19(14)13-7-3-4-8-13/h12-13H,1-11,16H2
InChIKeyGRTRTCZKZUADJT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.94
Rot. Bonds3

About [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine

[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine (PubChem CID 115444888) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
PubChem CID115444888
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
SMILESNCC1(c2nncn2C2CCCC2)CCCCCC1
InChIInChI=1S/C15H26N4/c16-11-15(9-5-1-2-6-10-15)14-18-17-12-19(14)13-7-3-4-8-13/h12-13H,1-11,16H2
InChIKeyGRTRTCZKZUADJT-UHFFFAOYSA-N
XLogP2.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine 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 [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine (CID 115444888) is [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine is NCC1(c2nncn2C2CCCC2)CCCCCC1.
What is the InChIKey of [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine?
The InChIKey is GRTRTCZKZUADJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c16-11-15(9-5-1-2-6-10-15)14-18-17-12-19(14)13-7-3-4-8-13/h12-13H,1-11,16H2.
What are the key properties of [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine?
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine is sourced from PubChem (CID 115444888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).