methyl imidazo[1,2-b]pyridazine-8-carboxylate

C8H7N3O2 — CID 141364137

IUPACmethyl imidazo[1,2-b]pyridazine-8-carboxylate
SMILESCOC(=O)c1ccnn2ccnc12
InChIInChI=1S/C8H7N3O2/c1-13-8(12)6-2-3-10-11-5-4-9-7(6)11/h2-5H,1H3
InChIKeyYNQABTRDJCMNST-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.52
Rot. Bonds1

About methyl imidazo[1,2-b]pyridazine-8-carboxylate

methyl imidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 141364137) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl imidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Namemethyl imidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID141364137
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namemethyl imidazo[1,2-b]pyridazine-8-carboxylate
SMILESCOC(=O)c1ccnn2ccnc12
InChIInChI=1S/C8H7N3O2/c1-13-8(12)6-2-3-10-11-5-4-9-7(6)11/h2-5H,1H3
InChIKeyYNQABTRDJCMNST-UHFFFAOYSA-N
XLogP0.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl imidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of methyl imidazo[1,2-b]pyridazine-8-carboxylate (CID 141364137) is methyl imidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for methyl imidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for methyl imidazo[1,2-b]pyridazine-8-carboxylate is COC(=O)c1ccnn2ccnc12.
What is the InChIKey of methyl imidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is YNQABTRDJCMNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-8(12)6-2-3-10-11-5-4-9-7(6)11/h2-5H,1H3.
What are the key properties of methyl imidazo[1,2-b]pyridazine-8-carboxylate?
methyl imidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 177.16 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl imidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 141364137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).