2-(4-ethyl-1,2,4-triazol-3-yl)aniline

C10H12N4 — CID 39869961

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)aniline
SMILESCCn1cnnc1-c1ccccc1N
InChIInChI=1S/C10H12N4/c1-2-14-7-12-13-10(14)8-5-3-4-6-9(8)11/h3-7H,2,11H2,1H3
InChIKeyJOBGOFDIZLJIDU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.55
Rot. Bonds2

About 2-(4-ethyl-1,2,4-triazol-3-yl)aniline

2-(4-ethyl-1,2,4-triazol-3-yl)aniline (PubChem CID 39869961) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)aniline
PubChem CID39869961
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)aniline
SMILESCCn1cnnc1-c1ccccc1N
InChIInChI=1S/C10H12N4/c1-2-14-7-12-13-10(14)8-5-3-4-6-9(8)11/h3-7H,2,11H2,1H3
InChIKeyJOBGOFDIZLJIDU-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-ethyl-1,2,4-triazol-3-yl)aniline 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-(4-ethyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)aniline (CID 39869961) is 2-(4-ethyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)aniline is CCn1cnnc1-c1ccccc1N.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is JOBGOFDIZLJIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-14-7-12-13-10(14)8-5-3-4-6-9(8)11/h3-7H,2,11H2,1H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)aniline?
2-(4-ethyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 39869961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).