4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one

C13H18N2O3 — CID 169129050

IUPAC4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cc1cnn(C2CCCCO2)c(=O)c1C
InChIInChI=1S/C13H18N2O3/c1-9(16)7-11-8-14-15(13(17)10(11)2)12-5-3-4-6-18-12/h8,12H,3-7H2,1-2H3
InChIKeyOAWAEWJCXUILBV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.38
Rot. Bonds3

About 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one

4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one (PubChem CID 169129050) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one
PubChem CID169129050
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cc1cnn(C2CCCCO2)c(=O)c1C
InChIInChI=1S/C13H18N2O3/c1-9(16)7-11-8-14-15(13(17)10(11)2)12-5-3-4-6-18-12/h8,12H,3-7H2,1-2H3
InChIKeyOAWAEWJCXUILBV-UHFFFAOYSA-N
XLogP1.38
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one (CID 169129050) is 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one is CC(=O)Cc1cnn(C2CCCCO2)c(=O)c1C.
What is the InChIKey of 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one?
The InChIKey is OAWAEWJCXUILBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(16)7-11-8-14-15(13(17)10(11)2)12-5-3-4-6-18-12/h8,12H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one?
4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one has a molecular weight of 250.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-2-yl)-5-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 169129050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).