6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one

C11H10F3N5O — CID 135997692

IUPAC6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NNC(F)(F)F)nc(Cc2ccccc2)[nH]1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)19-18-9-15-8(16-10(20)17-9)6-7-4-2-1-3-5-7/h1-5,19H,6H2,(H2,15,16,17,18,20)
InChIKeyCYRKTKGUNQKVHK-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.19
Rot. Bonds4

About 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one

6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one (PubChem CID 135997692) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
PubChem CID135997692
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NNC(F)(F)F)nc(Cc2ccccc2)[nH]1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)19-18-9-15-8(16-10(20)17-9)6-7-4-2-1-3-5-7/h1-5,19H,6H2,(H2,15,16,17,18,20)
InChIKeyCYRKTKGUNQKVHK-UHFFFAOYSA-N
XLogP1.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-1H-1,2,4-triazol-5(4H)-one
CID 135452703
4-[amino(trifluoromethyl)amino]-6-benzyl-1H-1,3,5-triazin-2-one
CID 135609581
4-[amino(trifluoromethyl)amino]-6-(2-ethylphenyl)-1H-1,3,5-triazin-2-one
CID 135609582
4-[amino(trifluoromethyl)amino]-6-(2,6-dimethylphenyl)-1H-1,3,5-triazin-2-one
CID 135609606
4-[amino(trifluoromethyl)amino]-6-(2-methylphenyl)-1H-1,3,5-triazin-2-one
CID 135609633
6-(2,6-dimethylphenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
CID 136099015
6-(2-methylphenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
CID 136146308
6-(2-ethylphenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
CID 136180190
6-(2,6-diethylphenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
CID 136196353
6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione
CID 170168932
6-(3,3,3-trifluoro-2-phenylpropyl)-1H-1,3,5-triazine-2,4-dione
CID 171522351
3-[(3,5-Difluorophenyl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136067175

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one (CID 135997692) is 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one is O=c1nc(NNC(F)(F)F)nc(Cc2ccccc2)[nH]1.
What is the InChIKey of 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one?
The InChIKey is CYRKTKGUNQKVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c12-11(13,14)19-18-9-15-8(16-10(20)17-9)6-7-4-2-1-3-5-7/h1-5,19H,6H2,(H2,15,16,17,18,20).
What are the key properties of 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one?
6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one has a molecular weight of 285.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135997692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).