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

C15H23N3O2 — CID 126926899

IUPAC2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CN(CC2(O)CCCCC2)C1
InChIInChI=1S/C15H23N3O2/c19-14-5-4-8-16-18(14)11-13-9-17(10-13)12-15(20)6-2-1-3-7-15/h4-5,8,13,20H,1-3,6-7,9-12H2
InChIKeyHYIZDIRNKCQCKG-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.87
Rot. Bonds4

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

2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126926899) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126926899
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CN(CC2(O)CCCCC2)C1
InChIInChI=1S/C15H23N3O2/c19-14-5-4-8-16-18(14)11-13-9-17(10-13)12-15(20)6-2-1-3-7-15/h4-5,8,13,20H,1-3,6-7,9-12H2
InChIKeyHYIZDIRNKCQCKG-UHFFFAOYSA-N
XLogP0.87
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126926899) is 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CN(CC2(O)CCCCC2)C1.
What is the InChIKey of 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is HYIZDIRNKCQCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14-5-4-8-16-18(14)11-13-9-17(10-13)12-15(20)6-2-1-3-7-15/h4-5,8,13,20H,1-3,6-7,9-12H2.
What are the key properties of 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-hydroxycyclohexyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).