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

C9H12N2O2 — CID 131062756

IUPAC2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1(O)CCC1
InChIInChI=1S/C9H12N2O2/c12-8-3-1-6-10-11(8)7-9(13)4-2-5-9/h1,3,6,13H,2,4-5,7H2
InChIKeyCINWXLFUXPXGJR-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.16
Rot. Bonds2

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

2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one (PubChem CID 131062756) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one
PubChem CID131062756
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1(O)CCC1
InChIInChI=1S/C9H12N2O2/c12-8-3-1-6-10-11(8)7-9(13)4-2-5-9/h1,3,6,13H,2,4-5,7H2
InChIKeyCINWXLFUXPXGJR-UHFFFAOYSA-N
XLogP0.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one (CID 131062756) is 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one is O=c1cccnn1CC1(O)CCC1.
What is the InChIKey of 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one?
The InChIKey is CINWXLFUXPXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-3-1-6-10-11(8)7-9(13)4-2-5-9/h1,3,6,13H,2,4-5,7H2.
What are the key properties of 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one?
2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclobutyl)methyl]pyridazin-3-one is sourced from PubChem (CID 131062756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).