ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate

C9H9N3O2 — CID 172558612

IUPACethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate
SMILESCCOC(=O)c1cnnc2[nH]ccc12
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)7-5-11-12-8-6(7)3-4-10-8/h3-5H,2H2,1H3,(H,10,12)
InChIKeyGFHQLHOCDVDSIL-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.13
Rot. Bonds2

About ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate

ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate (PubChem CID 172558612) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate
PubChem CID172558612
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate
SMILESCCOC(=O)c1cnnc2[nH]ccc12
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)7-5-11-12-8-6(7)3-4-10-8/h3-5H,2H2,1H3,(H,10,12)
InChIKeyGFHQLHOCDVDSIL-UHFFFAOYSA-N
XLogP1.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl phthalazine-6,7-dicarboxylate
CID 13115748
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
diethyl 3-iodopyridazine-4,5-dicarboxylate
CID 11405390
ethyl 6-amino-1H-indole-4-carboxylate
CID 53435938
ethyl 4-[(4-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624764
ethyl 4-[[(1S,3S)-3-carbamoylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 67277237
ethyl 4-[[(1S,3S)-3-methylcyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 159438356
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
ethyl 4-(iodomethyl)-1H-indole-5-carboxylate
CID 89343822
ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;dihydrochloride
CID 163229869
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 165350273

Frequently Asked Questions

What is the IUPAC name of ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate?
The IUPAC name of ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate (CID 172558612) is ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate?
The canonical SMILES for ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate is CCOC(=O)c1cnnc2[nH]ccc12.
What is the InChIKey of ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate?
The InChIKey is GFHQLHOCDVDSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)7-5-11-12-8-6(7)3-4-10-8/h3-5H,2H2,1H3,(H,10,12).
What are the key properties of ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate?
ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate is sourced from PubChem (CID 172558612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).