ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate

C9H14N2O2 — CID 3330953

IUPACethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate
SMILESC=C1CC(C(=O)OCC)=C(C)NN1
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-6(2)10-11-7(8)3/h10-11H,2,4-5H2,1,3H3
InChIKeyPPQSGMSJKGZKKP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.84
Rot. Bonds2

About ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate

ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate (PubChem CID 3330953) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate
PubChem CID3330953
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate
SMILESC=C1CC(C(=O)OCC)=C(C)NN1
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-6(2)10-11-7(8)3/h10-11H,2,4-5H2,1,3H3
InChIKeyPPQSGMSJKGZKKP-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-O-ethyl 5-O-fluoro 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143531548
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
CID 66922689
diethyl 2,6-dimethyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate
CID 58624989
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 102424167
ethyl 4-ethoxy-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 45094311
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate
CID 744933
ditert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;molecular hydrogen;3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 157040406
ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
CID 71682289

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate (CID 3330953) is ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate is C=C1CC(C(=O)OCC)=C(C)NN1.
What is the InChIKey of ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate?
The InChIKey is PPQSGMSJKGZKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-6(2)10-11-7(8)3/h10-11H,2,4-5H2,1,3H3.
What are the key properties of ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate?
ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate is sourced from PubChem (CID 3330953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).