3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one

C9H12N2O2 — CID 117105951

IUPAC3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1ccc(CC2CCCO2)n[nH]1
InChIInChI=1S/C9H12N2O2/c12-9-4-3-7(10-11-9)6-8-2-1-5-13-8/h3-4,8H,1-2,5-6H2,(H,11,12)
InChIKeyWXVSBLLAKMEIPP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.49
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one

3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one (PubChem CID 117105951) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one
PubChem CID117105951
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1ccc(CC2CCCO2)n[nH]1
InChIInChI=1S/C9H12N2O2/c12-9-4-3-7(10-11-9)6-8-2-1-5-13-8/h3-4,8H,1-2,5-6H2,(H,11,12)
InChIKeyWXVSBLLAKMEIPP-UHFFFAOYSA-N
XLogP0.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine
CID 115092647
2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 154793646
N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92723328
6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 60521562
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
3-(oxolan-2-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 11299966
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 119099714
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 81208326
6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 94185139
N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]oxolane-2-carboxamide
CID 71804951
4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136964515
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one (CID 117105951) is 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one is O=c1ccc(CC2CCCO2)n[nH]1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one?
The InChIKey is WXVSBLLAKMEIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9-4-3-7(10-11-9)6-8-2-1-5-13-8/h3-4,8H,1-2,5-6H2,(H,11,12).
What are the key properties of 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one?
3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).