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

C12H18N2O2 — CID 110929773

IUPAC2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2(O)CCCCC2)n1
InChIInChI=1S/C12H18N2O2/c1-10-5-6-11(15)14(13-10)9-12(16)7-3-2-4-8-12/h5-6,16H,2-4,7-9H2,1H3
InChIKeyYARZJCDRTWPHMB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.25
Rot. Bonds2

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

2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one (PubChem CID 110929773) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one
PubChem CID110929773
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2(O)CCCCC2)n1
InChIInChI=1S/C12H18N2O2/c1-10-5-6-11(15)14(13-10)9-12(16)7-3-2-4-8-12/h5-6,16H,2-4,7-9H2,1H3
InChIKeyYARZJCDRTWPHMB-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.25
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-Chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one
CID 134968312
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
N-[2,2-difluoro-2-(1-hydroxycyclohexyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 138022375
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 49754476
6-[2-(1-Hydroxycyclohexyl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 69967448
2-[(1-Hydroxycyclohexyl)methyl]pyridazin-3-one
CID 154458113
5,6-Diethyl-2-[(1-hydroxycyclohexyl)methyl]-3-oxopyridazine-4-carbonitrile
CID 53614158
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082506
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one (CID 110929773) is 2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2(O)CCCCC2)n1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one?
The InChIKey is YARZJCDRTWPHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-5-6-11(15)14(13-10)9-12(16)7-3-2-4-8-12/h5-6,16H,2-4,7-9H2,1H3.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one?
2-[(1-hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 1.25, 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-methylpyridazin-3-one is sourced from PubChem (CID 110929773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).