6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one

C10H7ClF3N5O — CID 135980797

IUPAC6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NNC(F)(F)F)nc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C10H7ClF3N5O/c11-6-3-1-2-5(4-6)7-15-8(17-9(20)16-7)18-19-10(12,13)14/h1-4,19H,(H2,15,16,17,18,20)
InChIKeyXZDTYKCWHQMYGL-UHFFFAOYSA-N
MW305.65 g/mol
LogP1.92
Rot. Bonds3

About 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one

6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one (PubChem CID 135980797) has the molecular formula C10H7ClF3N5O and a molecular weight of 305.65 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
PubChem CID135980797
Molecular FormulaC10H7ClF3N5O
Molecular Weight305.65 g/mol
Exact Mass305.03
IUPAC Name6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NNC(F)(F)F)nc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C10H7ClF3N5O/c11-6-3-1-2-5(4-6)7-15-8(17-9(20)16-7)18-19-10(12,13)14/h1-4,19H,(H2,15,16,17,18,20)
InChIKeyXZDTYKCWHQMYGL-UHFFFAOYSA-N
XLogP1.92
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.65
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-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 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one (CID 135980797) is 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one is O=c1nc(NNC(F)(F)F)nc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one?
The InChIKey is XZDTYKCWHQMYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5O/c11-6-3-1-2-5(4-6)7-15-8(17-9(20)16-7)18-19-10(12,13)14/h1-4,19H,(H2,15,16,17,18,20).
What are the key properties of 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one?
6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one has a molecular weight of 305.65 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135980797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).