ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate

C15H16N2O3 — CID 3245279

IUPACethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-3-20-15(19)10-17-14(18)9-8-13(16-17)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyCKVHJJWMNSGPNV-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.78
Rot. Bonds4

About ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate

ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate (PubChem CID 3245279) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate
PubChem CID3245279
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-3-20-15(19)10-17-14(18)9-8-13(16-17)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyCKVHJJWMNSGPNV-UHFFFAOYSA-N
XLogP1.78
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate (CID 3245279) is ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate is CCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate?
The InChIKey is CKVHJJWMNSGPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-15(19)10-17-14(18)9-8-13(16-17)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate?
ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate has a molecular weight of 272.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 3245279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).