6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

C11H9F2N5O3 — CID 4113380

IUPAC6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NN=Cc2ccccc2OC(F)F)c(=O)[nH]1
InChIInChI=1S/C11H9F2N5O3/c12-10(13)21-7-4-2-1-3-6(7)5-14-16-8-9(19)15-11(20)18-17-8/h1-5,10H,(H,16,17)(H2,15,18,19,20)
InChIKeyXMIVORAIJIEECY-UHFFFAOYSA-N
MW297.22 g/mol
LogP0.51
Rot. Bonds5

About 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 4113380) has the molecular formula C11H9F2N5O3 and a molecular weight of 297.22 g/mol. Its IUPAC name is 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
PubChem CID4113380
Molecular FormulaC11H9F2N5O3
Molecular Weight297.22 g/mol
Exact Mass297.07
IUPAC Name6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NN=Cc2ccccc2OC(F)F)c(=O)[nH]1
InChIInChI=1S/C11H9F2N5O3/c12-10(13)21-7-4-2-1-3-6(7)5-14-16-8-9(19)15-11(20)18-17-8/h1-5,10H,(H,16,17)(H2,15,18,19,20)
InChIKeyXMIVORAIJIEECY-UHFFFAOYSA-N
XLogP0.51
TPSA112.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 50.51
H-Bond Donors ≤ 53
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

2-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676351
6-[2-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 4320107
2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline
CID 4612061
6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 4282332
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
CID 6011166
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882962
6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504466
6-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504468
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 2841509
N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline
CID 169383711
N-cyclopropyl-N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide
CID 9352177

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (CID 4113380) is 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NN=Cc2ccccc2OC(F)F)c(=O)[nH]1.
What is the InChIKey of 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XMIVORAIJIEECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N5O3/c12-10(13)21-7-4-2-1-3-6(7)5-14-16-8-9(19)15-11(20)18-17-8/h1-5,10H,(H,16,17)(H2,15,18,19,20).
What are the key properties of 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 297.22 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 4113380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).