N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine

C10H16N4 — CID 61338146

IUPACN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine
SMILESC(Cc1nc(C2CC2)n[nH]1)NC1CC1
InChIInChI=1S/C10H16N4/c1-2-7(1)10-12-9(13-14-10)5-6-11-8-3-4-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyMKERJQKUWGMNPK-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.98
Rot. Bonds5

About N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine

N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine (PubChem CID 61338146) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine
PubChem CID61338146
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine
SMILESC(Cc1nc(C2CC2)n[nH]1)NC1CC1
InChIInChI=1S/C10H16N4/c1-2-7(1)10-12-9(13-14-10)5-6-11-8-3-4-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyMKERJQKUWGMNPK-UHFFFAOYSA-N
XLogP0.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine 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-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine (CID 61338146) is N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine is C(Cc1nc(C2CC2)n[nH]1)NC1CC1.
What is the InChIKey of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine?
The InChIKey is MKERJQKUWGMNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-7(1)10-12-9(13-14-10)5-6-11-8-3-4-8/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine?
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine has a molecular weight of 192.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 61338146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).