ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate

C13H15N3O2 — CID 162494475

IUPACethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESC=C(C)c1c(C(=O)OCC)cnn2cc(C)nc12
InChIInChI=1S/C13H15N3O2/c1-5-18-13(17)10-6-14-16-7-9(4)15-12(16)11(10)8(2)3/h6-7H,2,5H2,1,3-4H3
InChIKeyAWANIVKNKYSKKF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.25
Rot. Bonds3

About ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate

ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494475) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494475
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESC=C(C)c1c(C(=O)OCC)cnn2cc(C)nc12
InChIInChI=1S/C13H15N3O2/c1-5-18-13(17)10-6-14-16-7-9(4)15-12(16)11(10)8(2)3/h6-7H,2,5H2,1,3-4H3
InChIKeyAWANIVKNKYSKKF-UHFFFAOYSA-N
XLogP2.25
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494483
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155425580
ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494493
ethyl 6-chloro-5-nitro-4-prop-1-en-2-ylpyridine-3-carboxylate
CID 163367194
ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate
CID 164548277
2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
CID 118661383
ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
ethyl (12R)-12-methyl-10-oxa-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxylate
CID 155425476
ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate
CID 155456630

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate (CID 162494475) is ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate is C=C(C)c1c(C(=O)OCC)cnn2cc(C)nc12.
What is the InChIKey of ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is AWANIVKNKYSKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-5-18-13(17)10-6-14-16-7-9(4)15-12(16)11(10)8(2)3/h6-7H,2,5H2,1,3-4H3.
What are the key properties of ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).