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

C13H14FN5O — CID 135784969

IUPAC3-[(2Z)-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-BOPFTXTBSA-N
MW275.29 g/mol
LogP1.84
Rot. Bonds4

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

3-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135784969) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135784969
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name3-[(2Z)-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-BOPFTXTBSA-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-[(2Z)-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

Related Compounds

(E)-6-methyl-3-(2-(2-phenylpropylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135412003
2-Methyl-3-phenylacrylaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135446632
6-benzyl-3-[(2E)-2-butylidenehydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135479805
3-((E)-2-((E)-2-methyl-3-phenylallylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135454473
7-methyl-3-phenyl-4,9-dihydro-8H-[1,2,4]triazino[4,3-b][1,2,4]triazin-8-one
CID 975606
6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1,2,4-triazin-5(4H)-one
CID 135412005
4-(Trifluoromethyl)benzaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135412084
3-Fluorobenzaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135444130
3-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5-ol
CID 135454379
1-(4-Fluorophenyl)ethanone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135458778
3-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135736483
6-methyl-3-[(2E)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135802502

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135784969) is 3-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-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-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is SBPJXKJTCSQXJM-BOPFTXTBSA-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-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-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-[(2Z)-2-[1-(4-fluorophenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135784969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).