ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate

C15H16N2O3 — CID 68976287

IUPACethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
SMILESCCOC(=O)Cc1ccnn(Cc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O3/c1-2-20-14(18)10-13-8-9-16-17(15(13)19)11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3
InChIKeyYUSSPKXVXKFXGU-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.40
Rot. Bonds5

About ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate

ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate (PubChem CID 68976287) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
PubChem CID68976287
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
SMILESCCOC(=O)Cc1ccnn(Cc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O3/c1-2-20-14(18)10-13-8-9-16-17(15(13)19)11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3
InChIKeyYUSSPKXVXKFXGU-UHFFFAOYSA-N
XLogP1.40
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate?
The IUPAC name of ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate (CID 68976287) is ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate is CCOC(=O)Cc1ccnn(Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate?
The InChIKey is YUSSPKXVXKFXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-14(18)10-13-8-9-16-17(15(13)19)11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate?
ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate has a molecular weight of 272.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate is sourced from PubChem (CID 68976287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).