3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C14H18N2O3 — CID 70448278

IUPAC3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCOc1ccc(C2=NNC(=O)CC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-3-8-19-12-6-4-10(9-13(12)18-2)11-5-7-14(17)16-15-11/h4,6,9H,3,5,7-8H2,1-2H3,(H,16,17)
InChIKeyLFEXCBJYGHOBLH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds5

About 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 70448278) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID70448278
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCOc1ccc(C2=NNC(=O)CC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-3-8-19-12-6-4-10(9-13(12)18-2)11-5-7-14(17)16-15-11/h4,6,9H,3,5,7-8H2,1-2H3,(H,16,17)
InChIKeyLFEXCBJYGHOBLH-UHFFFAOYSA-N
XLogP2.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 70448278) is 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is CCCOc1ccc(C2=NNC(=O)CC2)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is LFEXCBJYGHOBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-8-19-12-6-4-10(9-13(12)18-2)11-5-7-14(17)16-15-11/h4,6,9H,3,5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 262.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 70448278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).