2-(2-methoxypropyl)-5-methylpyridazin-3-one

C9H14N2O2 — CID 130634745

IUPAC2-(2-methoxypropyl)-5-methylpyridazin-3-one
SMILESCOC(C)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H14N2O2/c1-7-4-9(12)11(10-5-7)6-8(2)13-3/h4-5,8H,6H2,1-3H3
InChIKeyLKYBTEQWMVZJRW-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.59
Rot. Bonds3

About 2-(2-methoxypropyl)-5-methylpyridazin-3-one

2-(2-methoxypropyl)-5-methylpyridazin-3-one (PubChem CID 130634745) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)-5-methylpyridazin-3-one
PubChem CID130634745
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-methoxypropyl)-5-methylpyridazin-3-one
SMILESCOC(C)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H14N2O2/c1-7-4-9(12)11(10-5-7)6-8(2)13-3/h4-5,8H,6H2,1-3H3
InChIKeyLKYBTEQWMVZJRW-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2-methoxypropyl)-5-methylpyridazin-3-one (CID 130634745) is 2-(2-methoxypropyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-methoxypropyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2-methoxypropyl)-5-methylpyridazin-3-one is COC(C)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-(2-methoxypropyl)-5-methylpyridazin-3-one?
The InChIKey is LKYBTEQWMVZJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-4-9(12)11(10-5-7)6-8(2)13-3/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-(2-methoxypropyl)-5-methylpyridazin-3-one?
2-(2-methoxypropyl)-5-methylpyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 130634745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).