6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C9H11N5 — CID 647722

IUPAC6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1N1CCCC1
InChIInChI=1S/C9H11N5/c1-2-6-13(5-1)9-4-3-8-11-10-7-14(8)12-9/h3-4,7H,1-2,5-6H2
InChIKeyCJJDVJQSWBFNGU-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.72
Rot. Bonds1

About 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 647722) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID647722
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1N1CCCC1
InChIInChI=1S/C9H11N5/c1-2-6-13(5-1)9-4-3-8-11-10-7-14(8)12-9/h3-4,7H,1-2,5-6H2
InChIKeyCJJDVJQSWBFNGU-UHFFFAOYSA-N
XLogP0.72
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 647722) is 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nncn2nc1N1CCCC1.
What is the InChIKey of 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CJJDVJQSWBFNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-6-13(5-1)9-4-3-8-11-10-7-14(8)12-9/h3-4,7H,1-2,5-6H2.
What are the key properties of 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 189.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 647722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).