ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate

C12H13N3O3 — CID 169147097

IUPACethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cc2cnnc(C)c2n(C)c1=O
InChIInChI=1S/C12H13N3O3/c1-4-18-12(17)9-5-8-6-13-14-7(2)10(8)15(3)11(9)16/h5-6H,4H2,1-3H3
InChIKeyMEEWRFQYYCECMC-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.81
Rot. Bonds2

About ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate

ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate (PubChem CID 169147097) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate
PubChem CID169147097
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cc2cnnc(C)c2n(C)c1=O
InChIInChI=1S/C12H13N3O3/c1-4-18-12(17)9-5-8-6-13-14-7(2)10(8)15(3)11(9)16/h5-6H,4H2,1-3H3
InChIKeyMEEWRFQYYCECMC-UHFFFAOYSA-N
XLogP0.81
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl phthalazine-6,7-dicarboxylate
CID 13115748
ethyl 1-methyl-8-[[1-(2-methylbut-3-en-2-ylsulfonyl)cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxylate
CID 169147462
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
CID 2997731
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
ethyl 3,7-dimethyl-2-methylimino-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate
CID 3067749
ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate
CID 170904363
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590536
ethyl 5-methylpyridazine-3-carboxylate
CID 150390069
ethyl 6-bromo-3-methylpyridazine-4-carboxylate
CID 162520168
diethyl 3-iodopyridazine-4,5-dicarboxylate
CID 11405390

Frequently Asked Questions

What is the IUPAC name of ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate?
The IUPAC name of ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate (CID 169147097) is ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate is CCOC(=O)c1cc2cnnc(C)c2n(C)c1=O.
What is the InChIKey of ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate?
The InChIKey is MEEWRFQYYCECMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-4-18-12(17)9-5-8-6-13-14-7(2)10(8)15(3)11(9)16/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate?
ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,8-dimethyl-2-oxopyrido[2,3-d]pyridazine-3-carboxylate is sourced from PubChem (CID 169147097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).