4-(3-ethoxyphenyl)-1H-pyridazin-6-one

C12H12N2O2 — CID 106519861

IUPAC4-(3-ethoxyphenyl)-1H-pyridazin-6-one
SMILESCCOc1cccc(-c2cn[nH]c(=O)c2)c1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-5-3-4-9(6-11)10-7-12(15)14-13-8-10/h3-8H,2H2,1H3,(H,14,15)
InChIKeyIROZVYXZUIKGEI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.84
Rot. Bonds3

About 4-(3-ethoxyphenyl)-1H-pyridazin-6-one

4-(3-ethoxyphenyl)-1H-pyridazin-6-one (PubChem CID 106519861) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-1H-pyridazin-6-one
PubChem CID106519861
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(3-ethoxyphenyl)-1H-pyridazin-6-one
SMILESCCOc1cccc(-c2cn[nH]c(=O)c2)c1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-5-3-4-9(6-11)10-7-12(15)14-13-8-10/h3-8H,2H2,1H3,(H,14,15)
InChIKeyIROZVYXZUIKGEI-UHFFFAOYSA-N
XLogP1.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79484904
N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484999
5-[3-(3-ethoxyphenyl)-5-methylphenyl]-1H-1,2,4-triazole
CID 57158106
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 11622972
3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410330
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
CID 82445963
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
3-(bromomethyl)-6-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 82518417

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-ethoxyphenyl)-1H-pyridazin-6-one (CID 106519861) is 4-(3-ethoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-ethoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-ethoxyphenyl)-1H-pyridazin-6-one is CCOc1cccc(-c2cn[nH]c(=O)c2)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is IROZVYXZUIKGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-11-5-3-4-9(6-11)10-7-12(15)14-13-8-10/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 4-(3-ethoxyphenyl)-1H-pyridazin-6-one?
4-(3-ethoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 106519861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).