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

C14H21N3O2 — CID 126926869

IUPAC2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CN(CC2(O)CCCC2)C1
InChIInChI=1S/C14H21N3O2/c18-13-4-3-7-15-17(13)10-12-8-16(9-12)11-14(19)5-1-2-6-14/h3-4,7,12,19H,1-2,5-6,8-11H2
InChIKeyOPFQFYIUFPENHR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.48
Rot. Bonds4

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

2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126926869) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126926869
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CN(CC2(O)CCCC2)C1
InChIInChI=1S/C14H21N3O2/c18-13-4-3-7-15-17(13)10-12-8-16(9-12)11-14(19)5-1-2-6-14/h3-4,7,12,19H,1-2,5-6,8-11H2
InChIKeyOPFQFYIUFPENHR-UHFFFAOYSA-N
XLogP0.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126926869) is 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CN(CC2(O)CCCC2)C1.
What is the InChIKey of 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is OPFQFYIUFPENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-4-3-7-15-17(13)10-12-8-16(9-12)11-14(19)5-1-2-6-14/h3-4,7,12,19H,1-2,5-6,8-11H2.
What are the key properties of 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-hydroxycyclopentyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).