ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate

C11H11N3O3 — CID 121224109

IUPACethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate
SMILESCCOC(=O)c1cc(C(N)=O)n2ncccc12
InChIInChI=1S/C11H11N3O3/c1-2-17-11(16)7-6-9(10(12)15)14-8(7)4-3-5-13-14/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyUZTMHTDKWAVBOP-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.61
Rot. Bonds3

About ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate

ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate (PubChem CID 121224109) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate
PubChem CID121224109
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Nameethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate
SMILESCCOC(=O)c1cc(C(N)=O)n2ncccc12
InChIInChI=1S/C11H11N3O3/c1-2-17-11(16)7-6-9(10(12)15)14-8(7)4-3-5-13-14/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyUZTMHTDKWAVBOP-UHFFFAOYSA-N
XLogP0.61
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate
CID 175697846
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
ethyl 3-bromopyrazolo[1,5-a]pyridine-7-carboxylate
CID 131437495
ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate
CID 141290589
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 11-(4-fluorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate
CID 5215884

Frequently Asked Questions

What is the IUPAC name of ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate?
The IUPAC name of ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate (CID 121224109) is ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate.
What is the SMILES notation for ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate?
The canonical SMILES for ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate is CCOC(=O)c1cc(C(N)=O)n2ncccc12.
What is the InChIKey of ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate?
The InChIKey is UZTMHTDKWAVBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-17-11(16)7-6-9(10(12)15)14-8(7)4-3-5-13-14/h3-6H,2H2,1H3,(H2,12,15).
What are the key properties of ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate?
ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-carbamoylpyrrolo[1,2-b]pyridazine-5-carboxylate is sourced from PubChem (CID 121224109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).