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

C15H24N2O2 — CID 110928564

IUPAC6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2(O)CCCCC2)n1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)12-7-8-13(18)17(16-12)11-15(19)9-5-4-6-10-15/h7-8,19H,4-6,9-11H2,1-3H3
InChIKeyHZJRXIADSBSQNW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.24
Rot. Bonds2

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

6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one (PubChem CID 110928564) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one
PubChem CID110928564
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2(O)CCCCC2)n1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)12-7-8-13(18)17(16-12)11-15(19)9-5-4-6-10-15/h7-8,19H,4-6,9-11H2,1-3H3
InChIKeyHZJRXIADSBSQNW-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-Hydroxycyclohexyl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 47395828
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-[(1-Hydroxycyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 109394046
5,6-Diethyl-2-[(1-hydroxycyclohexyl)methyl]-3-oxopyridazine-4-carbonitrile
CID 53614158
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
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 65119314
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 65119501
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 65119991
6-Tert-butyl-2-(2-ethyl-2-hydroxybutyl)pyridazin-3-one
CID 109985959

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one (CID 110928564) is 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2(O)CCCCC2)n1.
What is the InChIKey of 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one?
The InChIKey is HZJRXIADSBSQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)12-7-8-13(18)17(16-12)11-15(19)9-5-4-6-10-15/h7-8,19H,4-6,9-11H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one?
6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one has a molecular weight of 264.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one is sourced from PubChem (CID 110928564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).