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

C11H8F3N5O — CID 135412085

IUPAC3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(N/N=C\c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H8F3N5O/c12-11(13,14)8-3-1-7(2-4-8)5-15-18-10-17-9(20)6-16-19-10/h1-6H,(H2,17,18,19,20)/b15-5-
InChIKeyKTMVGQSJHAREDF-WCSRMQSCSA-N
MW283.21 g/mol
LogP1.63
Rot. Bonds3

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

3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135412085) has the molecular formula C11H8F3N5O and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135412085
Molecular FormulaC11H8F3N5O
Molecular Weight283.21 g/mol
Exact Mass283.07
IUPAC Name3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(N/N=C\c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H8F3N5O/c12-11(13,14)8-3-1-7(2-4-8)5-15-18-10-17-9(20)6-16-19-10/h1-6H,(H2,17,18,19,20)/b15-5-
InChIKeyKTMVGQSJHAREDF-WCSRMQSCSA-N
XLogP1.63
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 51.63
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'}

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Related Compounds

3-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)-N'-(4-(trifluoromethyl)benzylidene)propanehydrazide
CID 5347024
2-Methyl-3-phenylacrylaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135446632
2-(N'-(4-Fluoro-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135454399
4-methyl-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520022
3-((E)-2-((E)-2-methyl-3-phenylallylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135454473
2-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-6-methylpyrimidin-4(3H)-one
CID 135636426
3-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135736483
(E)-2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide
CID 6862651
3-{(2E)-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinyl}-1,2,4-triazin-5-ol
CID 135454472
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 1182821
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}propanohydrazide
CID 5346980
2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino]-N'-[(E)-[4-(trifluoromethyl)phenyl]methylidene]acetohydrazide
CID 5347043

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135412085) is 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is O=c1cnnc(N/N=C\c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is KTMVGQSJHAREDF-WCSRMQSCSA-N. The full InChI is InChI=1S/C11H8F3N5O/c12-11(13,14)8-3-1-7(2-4-8)5-15-18-10-17-9(20)6-16-19-10/h1-6H,(H2,17,18,19,20)/b15-5-.
What are the key properties of 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 283.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).