3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C12H12FN5O2 — CID 135820842

IUPAC3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(/C=N\Nc2nnc(C)c(=O)[nH]2)cc1F
InChIInChI=1S/C12H12FN5O2/c1-7-11(19)15-12(18-16-7)17-14-6-8-3-4-10(20-2)9(13)5-8/h3-6H,1-2H3,(H2,15,17,18,19)/b14-6-
InChIKeyDLCZVDDSDHJTDT-NSIKDUERSA-N
MW277.26 g/mol
LogP1.07
Rot. Bonds4

About 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135820842) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135820842
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(/C=N\Nc2nnc(C)c(=O)[nH]2)cc1F
InChIInChI=1S/C12H12FN5O2/c1-7-11(19)15-12(18-16-7)17-14-6-8-3-4-10(20-2)9(13)5-8/h3-6H,1-2H3,(H2,15,17,18,19)/b14-6-
InChIKeyDLCZVDDSDHJTDT-NSIKDUERSA-N
XLogP1.07
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-benzyl-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6863848
3-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135488697
{4-[2-(6-Methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)carbohydrazonoyl]phenoxy}acetic acid
CID 135814822
4-Methoxybenzaldehyde (5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135411612
4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 70693720
2-(N'-(4-Methoxy-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135509497
(E)-N-[(E)-N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135976610
(E)-N-[N-[(Z)-(4-fluorophenyl)methyleneamino]carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 136195489
5-(4-methoxyphenyl)-1,2,4-triazin-3(2H)-one
CID 13983343
N-[1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 2727558
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 6364777

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135820842) is 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is COc1ccc(/C=N\Nc2nnc(C)c(=O)[nH]2)cc1F.
What is the InChIKey of 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is DLCZVDDSDHJTDT-NSIKDUERSA-N. The full InChI is InChI=1S/C12H12FN5O2/c1-7-11(19)15-12(18-16-7)17-14-6-8-3-4-10(20-2)9(13)5-8/h3-6H,1-2H3,(H2,15,17,18,19)/b14-6-.
What are the key properties of 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 277.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135820842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).