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

C12H18N2O2 — CID 90767966

IUPAC2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1(O)CCCCCC1
InChIInChI=1S/C12H18N2O2/c15-11-6-5-9-13-14(11)10-12(16)7-3-1-2-4-8-12/h5-6,9,16H,1-4,7-8,10H2
InChIKeyOUXZFDFWARSBBE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.33
Rot. Bonds2

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

2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one (PubChem CID 90767966) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one
PubChem CID90767966
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1(O)CCCCCC1
InChIInChI=1S/C12H18N2O2/c15-11-6-5-9-13-14(11)10-12(16)7-3-1-2-4-8-12/h5-6,9,16H,1-4,7-8,10H2
InChIKeyOUXZFDFWARSBBE-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-Hydroxycyclohexyl)methyl]pyridazin-3-one
CID 154458113
2-[(1-Hydroxy-4-methylcyclohexyl)methyl]pyridazin-3-one
CID 99843558
2-(2-Cyclohexyl-2-hydroxyethyl)pyridazin-3-one
CID 104753220

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one (CID 90767966) is 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one is O=c1cccnn1CC1(O)CCCCCC1.
What is the InChIKey of 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one?
The InChIKey is OUXZFDFWARSBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-6-5-9-13-14(11)10-12(16)7-3-1-2-4-8-12/h5-6,9,16H,1-4,7-8,10H2.
What are the key properties of 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one?
2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycycloheptyl)methyl]pyridazin-3-one is sourced from PubChem (CID 90767966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).