ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate

C12H17N3O2 — CID 171811452

IUPACethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCC.CCOC(=O)c1cn2nc(C)ccc2n1
InChIInChI=1S/C10H11N3O2.C2H6/c1-3-15-10(14)8-6-13-9(11-8)5-4-7(2)12-13;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyKHZPETQJCCPMQP-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.24
Rot. Bonds2

About ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate

ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 171811452) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID171811452
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCC.CCOC(=O)c1cn2nc(C)ccc2n1
InChIInChI=1S/C10H11N3O2.C2H6/c1-3-15-10(14)8-6-13-9(11-8)5-4-7(2)12-13;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyKHZPETQJCCPMQP-UHFFFAOYSA-N
XLogP2.24
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-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 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate
CID 139488298
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394
ethyl 6-[(1R)-1-methoxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 156793535
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
ethyl 6-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 131537872
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 3-bromo-2-oxopropanoate;ethyl 6-formylimidazo[1,2-a]pyridine-2-carboxylate
CID 159035617
ethyl 6-chloroimidazo[1,2-a]quinoline-2-carboxylate
CID 12763984

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate (CID 171811452) is ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate is CC.CCOC(=O)c1cn2nc(C)ccc2n1.
What is the InChIKey of ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is KHZPETQJCCPMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.C2H6/c1-3-15-10(14)8-6-13-9(11-8)5-4-7(2)12-13;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate?
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 171811452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).