ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate

C11H12N4O2 — CID 103294349

IUPACethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nnc3cccnn23)CC1
InChIInChI=1S/C11H12N4O2/c1-2-17-10(16)11(5-6-11)9-14-13-8-4-3-7-12-15(8)9/h3-4,7H,2,5-6H2,1H3
InChIKeyPCSUEEWCKRKXED-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.72
Rot. Bonds3

About ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate

ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate (PubChem CID 103294349) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate
PubChem CID103294349
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nnc3cccnn23)CC1
InChIInChI=1S/C11H12N4O2/c1-2-17-10(16)11(5-6-11)9-14-13-8-4-3-7-12-15(8)9/h3-4,7H,2,5-6H2,1H3
InChIKeyPCSUEEWCKRKXED-UHFFFAOYSA-N
XLogP0.72
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate (CID 103294349) is ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2nnc3cccnn23)CC1.
What is the InChIKey of ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate?
The InChIKey is PCSUEEWCKRKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-10(16)11(5-6-11)9-14-13-8-4-3-7-12-15(8)9/h3-4,7H,2,5-6H2,1H3.
What are the key properties of ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate?
ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 103294349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).