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

C12H11F2N5O2 — CID 135847822

IUPAC3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C\c2ccccc2OC(F)F)[nH]c1=O
InChIInChI=1S/C12H11F2N5O2/c1-7-10(20)16-12(19-17-7)18-15-6-8-4-2-3-5-9(8)21-11(13)14/h2-6,11H,1H3,(H2,16,18,19,20)/b15-6-
InChIKeyYWYNJWLLHMDBQG-UUASQNMZSA-N
MW295.25 g/mol
LogP1.52
Rot. Bonds5

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

3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135847822) has the molecular formula C12H11F2N5O2 and a molecular weight of 295.25 g/mol. Its IUPAC name is 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135847822
Molecular FormulaC12H11F2N5O2
Molecular Weight295.25 g/mol
Exact Mass295.09
IUPAC Name3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C\c2ccccc2OC(F)F)[nH]c1=O
InChIInChI=1S/C12H11F2N5O2/c1-7-10(20)16-12(19-17-7)18-15-6-8-4-2-3-5-9(8)21-11(13)14/h2-6,11H,1H3,(H2,16,18,19,20)/b15-6-
InChIKeyYWYNJWLLHMDBQG-UUASQNMZSA-N
XLogP1.52
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 51.52
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
3-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135488697
6-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 9647713
2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454028
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one
CID 135443075
4-{[(E)-(4-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanyl-1,2,4-triazin-5(4H)-one
CID 6870260
6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 4113380
3-[(2Z)-2-[1-(4-Methoxyphenyl)ethylidene]hydrazin-1-YL]-6-methyl-1,2,4-triazin-5-OL
CID 135493434
2-[(2E)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135760745
5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 59160579
(E)-5-Fluoro-4-(2-(4-methoxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 68536235
5-fluoro-6-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 68536239

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135847822) is 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C\c2ccccc2OC(F)F)[nH]c1=O.
What is the InChIKey of 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is YWYNJWLLHMDBQG-UUASQNMZSA-N. The full InChI is InChI=1S/C12H11F2N5O2/c1-7-10(20)16-12(19-17-7)18-15-6-8-4-2-3-5-9(8)21-11(13)14/h2-6,11H,1H3,(H2,16,18,19,20)/b15-6-.
What are the key properties of 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 295.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135847822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).