5-anilino-2H-1,2,4-triazin-3-one

C9H8N4O — CID 2140579

IUPAC5-anilino-2H-1,2,4-triazin-3-one
SMILESO=c1nc(Nc2ccccc2)cn[nH]1
InChIInChI=1S/C9H8N4O/c14-9-12-8(6-10-13-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyDIMAUKJGQNLYGC-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.91
Rot. Bonds2

About 5-anilino-2H-1,2,4-triazin-3-one

5-anilino-2H-1,2,4-triazin-3-one (PubChem CID 2140579) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-anilino-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-anilino-2H-1,2,4-triazin-3-one
PubChem CID2140579
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name5-anilino-2H-1,2,4-triazin-3-one
SMILESO=c1nc(Nc2ccccc2)cn[nH]1
InChIInChI=1S/C9H8N4O/c14-9-12-8(6-10-13-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyDIMAUKJGQNLYGC-UHFFFAOYSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-anilino-2H-1,2,4-triazin-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 5-anilino-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-anilino-2H-1,2,4-triazin-3-one (CID 2140579) is 5-anilino-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-anilino-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-anilino-2H-1,2,4-triazin-3-one is O=c1nc(Nc2ccccc2)cn[nH]1.
What is the InChIKey of 5-anilino-2H-1,2,4-triazin-3-one?
The InChIKey is DIMAUKJGQNLYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-9-12-8(6-10-13-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14).
What are the key properties of 5-anilino-2H-1,2,4-triazin-3-one?
5-anilino-2H-1,2,4-triazin-3-one has a molecular weight of 188.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2140579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).