1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine

C12H16N4 — CID 105359524

IUPAC1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(CCc2ccccc2)n1
InChIInChI=1S/C12H16N4/c1-10(13)12-14-9-16(15-12)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,13H2,1H3
InChIKeyOZNKHFSQSQWYPF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.54
Rot. Bonds4

About 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine

1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359524) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359524
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(CCc2ccccc2)n1
InChIInChI=1S/C12H16N4/c1-10(13)12-14-9-16(15-12)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,13H2,1H3
InChIKeyOZNKHFSQSQWYPF-UHFFFAOYSA-N
XLogP1.54
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-phenylethyl)-1,2,4-triazol-3-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 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine (CID 105359524) is 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncn(CCc2ccccc2)n1.
What is the InChIKey of 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is OZNKHFSQSQWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10(13)12-14-9-16(15-12)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,13H2,1H3.
What are the key properties of 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine?
1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).