2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one

C13H22N2O2 — CID 164914096

IUPAC2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one
SMILESCCn1nc(C(C)C)c(OCC(C)C)cc1=O
InChIInChI=1S/C13H22N2O2/c1-6-15-12(16)7-11(17-8-9(2)3)13(14-15)10(4)5/h7,9-10H,6,8H2,1-5H3
InChIKeyLWKARASAUILPIX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.42
Rot. Bonds5

About 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one

2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one (PubChem CID 164914096) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one
PubChem CID164914096
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one
SMILESCCn1nc(C(C)C)c(OCC(C)C)cc1=O
InChIInChI=1S/C13H22N2O2/c1-6-15-12(16)7-11(17-8-9(2)3)13(14-15)10(4)5/h7,9-10H,6,8H2,1-5H3
InChIKeyLWKARASAUILPIX-UHFFFAOYSA-N
XLogP2.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one
CID 91249120
5-Hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one
CID 142777716
Methyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate
CID 162432212
2-[4-(2-Methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914125
Ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914172
Ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate
CID 164914188
Ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914215
2-[4-(2-Methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen
CID 164914259
2-[4-(2-Methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetic acid
CID 164914263
2-(4-Methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide
CID 175959884

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one (CID 164914096) is 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one is CCn1nc(C(C)C)c(OCC(C)C)cc1=O.
What is the InChIKey of 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one?
The InChIKey is LWKARASAUILPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-15-12(16)7-11(17-8-9(2)3)13(14-15)10(4)5/h7,9-10H,6,8H2,1-5H3.
What are the key properties of 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one?
2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one has a molecular weight of 238.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylpropoxy)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 164914096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).