2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine

C8H10N6 — CID 63990025

IUPAC2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESNCCc1nc(-c2ccncn2)n[nH]1
InChIInChI=1S/C8H10N6/c9-3-1-7-12-8(14-13-7)6-2-4-10-5-11-6/h2,4-5H,1,3,9H2,(H,12,13,14)
InChIKeyKKTVTNDIWXKUQF-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.24
Rot. Bonds3

About 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine

2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 63990025) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID63990025
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESNCCc1nc(-c2ccncn2)n[nH]1
InChIInChI=1S/C8H10N6/c9-3-1-7-12-8(14-13-7)6-2-4-10-5-11-6/h2,4-5H,1,3,9H2,(H,12,13,14)
InChIKeyKKTVTNDIWXKUQF-UHFFFAOYSA-N
XLogP-0.24
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-pyrimidin-4-yl-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-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine (CID 63990025) is 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine is NCCc1nc(-c2ccncn2)n[nH]1.
What is the InChIKey of 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is KKTVTNDIWXKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c9-3-1-7-12-8(14-13-7)6-2-4-10-5-11-6/h2,4-5H,1,3,9H2,(H,12,13,14).
What are the key properties of 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine?
2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 190.21 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 63990025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).