2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine

C13H24N4 — CID 79572173

IUPAC2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCn1nc(C)nc1C
InChIInChI=1S/C13H24N4/c1-4-14-13-7-5-6-12(13)8-9-17-11(3)15-10(2)16-17/h12-14H,4-9H2,1-3H3
InChIKeyLKEJXCLREUPABU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine

2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine (PubChem CID 79572173) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine
PubChem CID79572173
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCn1nc(C)nc1C
InChIInChI=1S/C13H24N4/c1-4-14-13-7-5-6-12(13)8-9-17-11(3)15-10(2)16-17/h12-14H,4-9H2,1-3H3
InChIKeyLKEJXCLREUPABU-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-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 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine (CID 79572173) is 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1CCn1nc(C)nc1C.
What is the InChIKey of 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine?
The InChIKey is LKEJXCLREUPABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-14-13-7-5-6-12(13)8-9-17-11(3)15-10(2)16-17/h12-14H,4-9H2,1-3H3.
What are the key properties of 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine?
2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79572173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).