methyl pyrazolo[1,5-b]pyridazine-6-carboxylate

C8H7N3O2 — CID 155892504

IUPACmethyl pyrazolo[1,5-b]pyridazine-6-carboxylate
SMILESCOC(=O)c1ccc2ccnn2n1
InChIInChI=1S/C8H7N3O2/c1-13-8(12)7-3-2-6-4-5-9-11(6)10-7/h2-5H,1H3
InChIKeyQIMHFRHZIUMWFQ-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.52
Rot. Bonds1

About methyl pyrazolo[1,5-b]pyridazine-6-carboxylate

methyl pyrazolo[1,5-b]pyridazine-6-carboxylate (PubChem CID 155892504) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl pyrazolo[1,5-b]pyridazine-6-carboxylate.

Molecular Properties

Compound Namemethyl pyrazolo[1,5-b]pyridazine-6-carboxylate
PubChem CID155892504
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namemethyl pyrazolo[1,5-b]pyridazine-6-carboxylate
SMILESCOC(=O)c1ccc2ccnn2n1
InChIInChI=1S/C8H7N3O2/c1-13-8(12)7-3-2-6-4-5-9-11(6)10-7/h2-5H,1H3
InChIKeyQIMHFRHZIUMWFQ-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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Related Compounds

methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate
CID 130065864
methyl pyrrolo[1,2-b]pyridazine-7-carboxylate
CID 83381157
methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate
CID 139512246
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
methyl 1-(4-methylphenyl)pyrazole-3-carboxylate
CID 14129279
methyl 5-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylate
CID 154791548
methyl 5-(2-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 118408847
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
methyl 5-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 130065779
methyl 5-(3,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 154791625

Frequently Asked Questions

What is the IUPAC name of methyl pyrazolo[1,5-b]pyridazine-6-carboxylate?
The IUPAC name of methyl pyrazolo[1,5-b]pyridazine-6-carboxylate (CID 155892504) is methyl pyrazolo[1,5-b]pyridazine-6-carboxylate.
What is the SMILES notation for methyl pyrazolo[1,5-b]pyridazine-6-carboxylate?
The canonical SMILES for methyl pyrazolo[1,5-b]pyridazine-6-carboxylate is COC(=O)c1ccc2ccnn2n1.
What is the InChIKey of methyl pyrazolo[1,5-b]pyridazine-6-carboxylate?
The InChIKey is QIMHFRHZIUMWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-8(12)7-3-2-6-4-5-9-11(6)10-7/h2-5H,1H3.
What are the key properties of methyl pyrazolo[1,5-b]pyridazine-6-carboxylate?
methyl pyrazolo[1,5-b]pyridazine-6-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 pyrazolo[1,5-b]pyridazine-6-carboxylate is sourced from PubChem (CID 155892504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).