3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C12H12FN5O — CID 135620282

IUPAC3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESC/C(=N\Nc1nnc(C)c(=O)[nH]1)c1ccccc1F
InChIInChI=1S/C12H12FN5O/c1-7(9-5-3-4-6-10(9)13)15-17-12-14-11(19)8(2)16-18-12/h3-6H,1-2H3,(H2,14,17,18,19)/b15-7+
InChIKeyWCOJKVUYMYBMNT-VIZOYTHASA-N
MW261.26 g/mol
LogP1.45
Rot. Bonds3

About 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135620282) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135620282
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESC/C(=N\Nc1nnc(C)c(=O)[nH]1)c1ccccc1F
InChIInChI=1S/C12H12FN5O/c1-7(9-5-3-4-6-10(9)13)15-17-12-14-11(19)8(2)16-18-12/h3-6H,1-2H3,(H2,14,17,18,19)/b15-7+
InChIKeyWCOJKVUYMYBMNT-VIZOYTHASA-N
XLogP1.45
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-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-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135620282) is 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is C/C(=N\Nc1nnc(C)c(=O)[nH]1)c1ccccc1F.
What is the InChIKey of 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is WCOJKVUYMYBMNT-VIZOYTHASA-N. The full InChI is InChI=1S/C12H12FN5O/c1-7(9-5-3-4-6-10(9)13)15-17-12-14-11(19)8(2)16-18-12/h3-6H,1-2H3,(H2,14,17,18,19)/b15-7+.
What are the key properties of 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 261.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[1-(2-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135620282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).