2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine

C8H14N4 — CID 65420230

IUPAC2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCC1CC1c1n[nH]c(CCN)n1
InChIInChI=1S/C8H14N4/c1-5-4-6(5)8-10-7(2-3-9)11-12-8/h5-6H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyNFWCKGOVGRGXIO-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.43
Rot. Bonds3

About 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine

2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 65420230) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID65420230
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCC1CC1c1n[nH]c(CCN)n1
InChIInChI=1S/C8H14N4/c1-5-4-6(5)8-10-7(2-3-9)11-12-8/h5-6H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyNFWCKGOVGRGXIO-UHFFFAOYSA-N
XLogP0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine 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-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 65420230) is 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine is CC1CC1c1n[nH]c(CCN)n1.
What is the InChIKey of 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is NFWCKGOVGRGXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-5-4-6(5)8-10-7(2-3-9)11-12-8/h5-6H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 166.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 65420230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).