ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate

C14H19N3O2 — CID 162494483

IUPACethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(C)nc2c1C(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-6-19-13(18)10-7-15-17-8-9(2)16-12(17)11(10)14(3,4)5/h7-8H,6H2,1-5H3
InChIKeyWQJLUOXXRLIHIO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.51
Rot. Bonds2

About ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate

ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494483) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494483
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(C)nc2c1C(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-6-19-13(18)10-7-15-17-8-9(2)16-12(17)11(10)14(3,4)5/h7-8H,6H2,1-5H3
InChIKeyWQJLUOXXRLIHIO-UHFFFAOYSA-N
XLogP2.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494475
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 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
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 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494493
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
ethyl spiro[10-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-12,1'-cyclopentane]-4-carboxylate
CID 158815393

Frequently Asked Questions

What is the IUPAC name of ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate (CID 162494483) is ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2cc(C)nc2c1C(C)(C)C.
What is the InChIKey of ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is WQJLUOXXRLIHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-6-19-13(18)10-7-15-17-8-9(2)16-12(17)11(10)14(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).