5-methoxy-2-(2-methylpropyl)pyridazin-3-one

C9H14N2O2 — CID 125425553

IUPAC5-methoxy-2-(2-methylpropyl)pyridazin-3-one
SMILESCOc1cnn(CC(C)C)c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-7(2)6-11-9(12)4-8(13-3)5-10-11/h4-5,7H,6H2,1-3H3
InChIKeyIRGCGULVQGEFMM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.91
Rot. Bonds3

About 5-methoxy-2-(2-methylpropyl)pyridazin-3-one

5-methoxy-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 125425553) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-(2-methylpropyl)pyridazin-3-one
PubChem CID125425553
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-methoxy-2-(2-methylpropyl)pyridazin-3-one
SMILESCOc1cnn(CC(C)C)c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-7(2)6-11-9(12)4-8(13-3)5-10-11/h4-5,7H,6H2,1-3H3
InChIKeyIRGCGULVQGEFMM-UHFFFAOYSA-N
XLogP0.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-methoxy-2-(2-methylpropyl)pyridazin-3-one (CID 125425553) is 5-methoxy-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-(2-methylpropyl)pyridazin-3-one is COc1cnn(CC(C)C)c(=O)c1.
What is the InChIKey of 5-methoxy-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is IRGCGULVQGEFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)6-11-9(12)4-8(13-3)5-10-11/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-methoxy-2-(2-methylpropyl)pyridazin-3-one?
5-methoxy-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 125425553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).