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

C13H14FN5O — CID 135982655

IUPAC3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCC/C(=N\Nc1nnc(C)c(=O)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN5O/c1-3-11(9-4-6-10(14)7-5-9)17-19-13-15-12(20)8(2)16-18-13/h4-7H,3H2,1-2H3,(H2,15,18,19,20)/b17-11+
InChIKeySBPJXKJTCSQXJM-GZTJUZNOSA-N
MW275.29 g/mol
LogP1.84
Rot. Bonds4

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

3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135982655) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135982655
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCC/C(=N\Nc1nnc(C)c(=O)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN5O/c1-3-11(9-4-6-10(14)7-5-9)17-19-13-15-12(20)8(2)16-18-13/h4-7H,3H2,1-2H3,(H2,15,18,19,20)/b17-11+
InChIKeySBPJXKJTCSQXJM-GZTJUZNOSA-N
XLogP1.84
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.84
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-(4-fluorophenyl)propylidene]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-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135982655) is 3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is CC/C(=N\Nc1nnc(C)c(=O)[nH]1)c1ccc(F)cc1.
What is the InChIKey of 3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is SBPJXKJTCSQXJM-GZTJUZNOSA-N. The full InChI is InChI=1S/C13H14FN5O/c1-3-11(9-4-6-10(14)7-5-9)17-19-13-15-12(20)8(2)16-18-13/h4-7H,3H2,1-2H3,(H2,15,18,19,20)/b17-11+.
What are the key properties of 3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 275.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135982655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).