3-amino-6-phenyl-4H-1,2,4-triazin-5-one

C9H8N4O — CID 135800499

IUPAC3-amino-6-phenyl-4H-1,2,4-triazin-5-one
SMILESNc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C9H8N4O/c10-9-11-8(14)7(12-13-9)6-4-2-1-3-5-6/h1-5H,(H3,10,11,13,14)
InChIKeyOTMJLWLDOAUFTM-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.41
Rot. Bonds1

About 3-amino-6-phenyl-4H-1,2,4-triazin-5-one

3-amino-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135800499) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-amino-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-amino-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135800499
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name3-amino-6-phenyl-4H-1,2,4-triazin-5-one
SMILESNc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C9H8N4O/c10-9-11-8(14)7(12-13-9)6-4-2-1-3-5-6/h1-5H,(H3,10,11,13,14)
InChIKeyOTMJLWLDOAUFTM-UHFFFAOYSA-N
XLogP0.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-phenyl-4H-1,2,4-triazin-5-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 3-amino-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-amino-6-phenyl-4H-1,2,4-triazin-5-one (CID 135800499) is 3-amino-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-amino-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-amino-6-phenyl-4H-1,2,4-triazin-5-one is Nc1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-amino-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is OTMJLWLDOAUFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-9-11-8(14)7(12-13-9)6-4-2-1-3-5-6/h1-5H,(H3,10,11,13,14).
What are the key properties of 3-amino-6-phenyl-4H-1,2,4-triazin-5-one?
3-amino-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 188.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135800499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).