2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one

C6H5N5O — CID 70107181

IUPAC2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one
SMILESO=C1CC=NN1c1nccnn1
InChIInChI=1S/C6H5N5O/c12-5-1-2-9-11(5)6-7-3-4-8-10-6/h2-4H,1H2
InChIKeyAHMYXRACGXRRKO-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.41
Rot. Bonds1

About 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one

2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one (PubChem CID 70107181) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one
PubChem CID70107181
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one
SMILESO=C1CC=NN1c1nccnn1
InChIInChI=1S/C6H5N5O/c12-5-1-2-9-11(5)6-7-3-4-8-10-6/h2-4H,1H2
InChIKeyAHMYXRACGXRRKO-UHFFFAOYSA-N
XLogP-0.41
TPSA71.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one 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-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one?
The IUPAC name of 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one (CID 70107181) is 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one is O=C1CC=NN1c1nccnn1.
What is the InChIKey of 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one?
The InChIKey is AHMYXRACGXRRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c12-5-1-2-9-11(5)6-7-3-4-8-10-6/h2-4H,1H2.
What are the key properties of 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one?
2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one has a molecular weight of 163.14 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazin-3-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 70107181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).