ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate

C10H14N2O3 — CID 52563002

IUPACethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1c(C)c(C)nn(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-5-15-10(14)8-6(2)7(3)11-12(4)9(8)13/h5H2,1-4H3
InChIKeyHGLANODLTHFJSU-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.57
Rot. Bonds2

About ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate

ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate (PubChem CID 52563002) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
PubChem CID52563002
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1c(C)c(C)nn(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-5-15-10(14)8-6(2)7(3)11-12(4)9(8)13/h5H2,1-4H3
InChIKeyHGLANODLTHFJSU-UHFFFAOYSA-N
XLogP0.57
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate?
The IUPAC name of ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate (CID 52563002) is ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate?
The canonical SMILES for ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate is CCOC(=O)c1c(C)c(C)nn(C)c1=O.
What is the InChIKey of ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate?
The InChIKey is HGLANODLTHFJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5-15-10(14)8-6(2)7(3)11-12(4)9(8)13/h5H2,1-4H3.
What are the key properties of ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate?
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 52563002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).