(3-ethoxyphenyl)-pyridazin-4-ylmethanone

C13H12N2O2 — CID 105122423

IUPAC(3-ethoxyphenyl)-pyridazin-4-ylmethanone
SMILESCCOc1cccc(C(=O)c2ccnnc2)c1
InChIInChI=1S/C13H12N2O2/c1-2-17-12-5-3-4-10(8-12)13(16)11-6-7-14-15-9-11/h3-9H,2H2,1H3
InChIKeyJAUFSJNQZPMVLN-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.11
Rot. Bonds4

About (3-ethoxyphenyl)-pyridazin-4-ylmethanone

(3-ethoxyphenyl)-pyridazin-4-ylmethanone (PubChem CID 105122423) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (3-ethoxyphenyl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-pyridazin-4-ylmethanone
PubChem CID105122423
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(3-ethoxyphenyl)-pyridazin-4-ylmethanone
SMILESCCOc1cccc(C(=O)c2ccnnc2)c1
InChIInChI=1S/C13H12N2O2/c1-2-17-12-5-3-4-10(8-12)13(16)11-6-7-14-15-9-11/h3-9H,2H2,1H3
InChIKeyJAUFSJNQZPMVLN-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

(4-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105093922
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
methyl 3-ethoxybenzoate
CID 3267781
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 115791255
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105122490
(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
CID 115791309
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-pyridazin-4-ylmethanone?
The IUPAC name of (3-ethoxyphenyl)-pyridazin-4-ylmethanone (CID 105122423) is (3-ethoxyphenyl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (3-ethoxyphenyl)-pyridazin-4-ylmethanone?
The canonical SMILES for (3-ethoxyphenyl)-pyridazin-4-ylmethanone is CCOc1cccc(C(=O)c2ccnnc2)c1.
What is the InChIKey of (3-ethoxyphenyl)-pyridazin-4-ylmethanone?
The InChIKey is JAUFSJNQZPMVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-17-12-5-3-4-10(8-12)13(16)11-6-7-14-15-9-11/h3-9H,2H2,1H3.
What are the key properties of (3-ethoxyphenyl)-pyridazin-4-ylmethanone?
(3-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 (3-ethoxyphenyl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 105122423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).