ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate

C16H16N2O4 — CID 15253017

IUPACethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc(C)cc2)cc1OC(C)=O
InChIInChI=1S/C16H16N2O4/c1-4-21-16(20)15-14(22-11(3)19)9-13(17-18-15)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyMKZPMFWHUIVKFW-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.55
Rot. Bonds4

About ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate

ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate (PubChem CID 15253017) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate
PubChem CID15253017
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc(C)cc2)cc1OC(C)=O
InChIInChI=1S/C16H16N2O4/c1-4-21-16(20)15-14(22-11(3)19)9-13(17-18-15)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyMKZPMFWHUIVKFW-UHFFFAOYSA-N
XLogP2.55
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate?
The IUPAC name of ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate (CID 15253017) is ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate is CCOC(=O)c1nnc(-c2ccc(C)cc2)cc1OC(C)=O.
What is the InChIKey of ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate?
The InChIKey is MKZPMFWHUIVKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-4-21-16(20)15-14(22-11(3)19)9-13(17-18-15)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate?
ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyloxy-6-(4-methylphenyl)pyridazine-3-carboxylate is sourced from PubChem (CID 15253017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).