(4-ethoxyphenyl)-pyridazin-4-ylmethanone

C13H12N2O2 — CID 105093922

IUPAC(4-ethoxyphenyl)-pyridazin-4-ylmethanone
SMILESCCOc1ccc(C(=O)c2ccnnc2)cc1
InChIInChI=1S/C13H12N2O2/c1-2-17-12-5-3-10(4-6-12)13(16)11-7-8-14-15-9-11/h3-9H,2H2,1H3
InChIKeyLRVAUBQSGSUKAH-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.11
Rot. Bonds4

About (4-ethoxyphenyl)-pyridazin-4-ylmethanone

(4-ethoxyphenyl)-pyridazin-4-ylmethanone (PubChem CID 105093922) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (4-ethoxyphenyl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-pyridazin-4-ylmethanone
PubChem CID105093922
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(4-ethoxyphenyl)-pyridazin-4-ylmethanone
SMILESCCOc1ccc(C(=O)c2ccnnc2)cc1
InChIInChI=1S/C13H12N2O2/c1-2-17-12-5-3-10(4-6-12)13(16)11-7-8-14-15-9-11/h3-9H,2H2,1H3
InChIKeyLRVAUBQSGSUKAH-UHFFFAOYSA-N
XLogP2.11
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105122423
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095554
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
CID 25178443
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 47140397

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-pyridazin-4-ylmethanone?
The IUPAC name of (4-ethoxyphenyl)-pyridazin-4-ylmethanone (CID 105093922) is (4-ethoxyphenyl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (4-ethoxyphenyl)-pyridazin-4-ylmethanone?
The canonical SMILES for (4-ethoxyphenyl)-pyridazin-4-ylmethanone is CCOc1ccc(C(=O)c2ccnnc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-pyridazin-4-ylmethanone?
The InChIKey is LRVAUBQSGSUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-17-12-5-3-10(4-6-12)13(16)11-7-8-14-15-9-11/h3-9H,2H2,1H3.
What are the key properties of (4-ethoxyphenyl)-pyridazin-4-ylmethanone?
(4-ethoxyphenyl)-pyridazin-4-ylmethanone has a molecular weight of 228.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 105093922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).