2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one

C12H15F3N2O2 — CID 109394046

IUPAC2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CC1(O)CCCCC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-4-5-10(18)17(16-9)8-11(19)6-2-1-3-7-11/h4-5,19H,1-3,6-8H2
InChIKeyVLUYTMYAXYDXNB-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.96
Rot. Bonds2

About 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one

2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 109394046) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID109394046
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CC1(O)CCCCC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-4-5-10(18)17(16-9)8-11(19)6-2-1-3-7-11/h4-5,19H,1-3,6-8H2
InChIKeyVLUYTMYAXYDXNB-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 56819802
2-[(1-Hydroxy-4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 109394027
2-(2-Ethyl-2-hydroxybutyl)-6-(trifluoromethyl)pyridazin-3-one
CID 109986049
2-(2-Hydroxycyclohexyl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 126857491
N-[2,2-difluoro-2-(1-hydroxycyclohexyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 138022375
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64866558
N-[(1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 65113562
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 65114040
6-Tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one
CID 110928564
2-[(1-Hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one
CID 110929773
1-butyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopyridazine-3-carboxamide
CID 111445848
1-[(1-Hydroxy-4-methylcyclohexyl)methyl]-6-oxopyridazine-3-carboxamide
CID 111476722

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one (CID 109394046) is 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1CC1(O)CCCCC1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is VLUYTMYAXYDXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)9-4-5-10(18)17(16-9)8-11(19)6-2-1-3-7-11/h4-5,19H,1-3,6-8H2.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 276.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 109394046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).