5-methyl-2-(oxolan-3-yl)pyridazin-3-one

C9H12N2O2 — CID 130671571

IUPAC5-methyl-2-(oxolan-3-yl)pyridazin-3-one
SMILESCc1cnn(C2CCOC2)c(=O)c1
InChIInChI=1S/C9H12N2O2/c1-7-4-9(12)11(10-5-7)8-2-3-13-6-8/h4-5,8H,2-3,6H2,1H3
InChIKeyVCBWJPIAFIVHHA-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.51
Rot. Bonds1

About 5-methyl-2-(oxolan-3-yl)pyridazin-3-one

5-methyl-2-(oxolan-3-yl)pyridazin-3-one (PubChem CID 130671571) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-methyl-2-(oxolan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(oxolan-3-yl)pyridazin-3-one
PubChem CID130671571
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-methyl-2-(oxolan-3-yl)pyridazin-3-one
SMILESCc1cnn(C2CCOC2)c(=O)c1
InChIInChI=1S/C9H12N2O2/c1-7-4-9(12)11(10-5-7)8-2-3-13-6-8/h4-5,8H,2-3,6H2,1H3
InChIKeyVCBWJPIAFIVHHA-UHFFFAOYSA-N
XLogP0.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
6-oxo-N-[(3S)-oxolan-3-yl]-1H-pyridazine-4-carboxamide
CID 141279186
6-oxo-N-(oxolan-3-yl)-1H-pyridazine-4-carboxamide
CID 174677654
5-Chloro-2-(oxolan-3-yl)pyridazin-3-one
CID 177774600
5-Chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane
CID 178006943
Ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548434
5-Methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 106548644
5-Iodo-2-(oxolan-3-yl)pyridazin-3-one
CID 114553567
2-(Oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126857277
5,6-Dimethyl-2-(oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126857314
5-methyl-2-[[(2R)-oxiran-2-yl]methyl]pyridazin-3-one
CID 130493205
2-(2-Methoxypropyl)-5-methylpyridazin-3-one
CID 130634745

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxolan-3-yl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(oxolan-3-yl)pyridazin-3-one (CID 130671571) is 5-methyl-2-(oxolan-3-yl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(oxolan-3-yl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(oxolan-3-yl)pyridazin-3-one is Cc1cnn(C2CCOC2)c(=O)c1.
What is the InChIKey of 5-methyl-2-(oxolan-3-yl)pyridazin-3-one?
The InChIKey is VCBWJPIAFIVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-4-9(12)11(10-5-7)8-2-3-13-6-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 5-methyl-2-(oxolan-3-yl)pyridazin-3-one?
5-methyl-2-(oxolan-3-yl)pyridazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxolan-3-yl)pyridazin-3-one is sourced from PubChem (CID 130671571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).