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

C11H16N2O2 — CID 154458113

IUPAC2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1(O)CCCCC1
InChIInChI=1S/C11H16N2O2/c14-10-5-4-8-12-13(10)9-11(15)6-2-1-3-7-11/h4-5,8,15H,1-3,6-7,9H2
InChIKeyWUUZNCDCIDWWKI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.94
Rot. Bonds2

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

2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one (PubChem CID 154458113) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one
PubChem CID154458113
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1(O)CCCCC1
InChIInChI=1S/C11H16N2O2/c14-10-5-4-8-12-13(10)9-11(15)6-2-1-3-7-11/h4-5,8,15H,1-3,6-7,9H2
InChIKeyWUUZNCDCIDWWKI-UHFFFAOYSA-N
XLogP0.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-[1-(1-hydroxycyclohexyl)prop-2-enyl]pyridazin-3-one
CID 134968312
2-[(1-Hydroxycycloheptyl)methyl]pyridazin-3-one
CID 90767966
2-[(1-Hydroxy-4-methylcyclohexyl)methyl]pyridazin-3-one
CID 99843558
2-(2-Cyclopentyl-2-hydroxyethyl)pyridazin-3-one
CID 104753219
2-(2-Cyclohexyl-2-hydroxyethyl)pyridazin-3-one
CID 104753220
2-[(1-Hydroxycyclohexyl)methyl]-6-methylpyridazin-3-one
CID 110929773
2-(2-{4-[(1-Hydroxycyclohexyl)methyl]piperazin-1-yl}ethyl)-2,3-dihydropyridazin-3-one
CID 126913537
2-({1-[(1-Hydroxycyclohexyl)methyl]pyrrolidin-2-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126923385
2-({1-[(1-Hydroxycyclopentyl)methyl]azetidin-3-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126926869
2-({1-[(1-Hydroxycyclohexyl)methyl]azetidin-3-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126926899
2-(4-{[(1-Hydroxycyclohexyl)methyl]amino}cyclohexyl)-2,3-dihydropyridazin-3-one
CID 126934542
2-[(1-Hydroxycyclobutyl)methyl]pyridazin-3-one
CID 131062756

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one (CID 154458113) is 2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one is O=c1cccnn1CC1(O)CCCCC1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one?
The InChIKey is WUUZNCDCIDWWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-5-4-8-12-13(10)9-11(15)6-2-1-3-7-11/h4-5,8,15H,1-3,6-7,9H2.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one?
2-[(1-hydroxycyclohexyl)methyl]pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 0.94, 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]pyridazin-3-one is sourced from PubChem (CID 154458113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).