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

C12H15N5 — CID 53015050

IUPAC3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nnc(C3CC3)n2nc1N1CCCC1
InChIInChI=1S/C12H15N5/c1-2-8-16(7-1)11-6-5-10-13-14-12(9-3-4-9)17(10)15-11/h5-6,9H,1-4,7-8H2
InChIKeyGRKRSOIGAPVNEJ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.60
Rot. Bonds2

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

3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53015050) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53015050
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nnc(C3CC3)n2nc1N1CCCC1
InChIInChI=1S/C12H15N5/c1-2-8-16(7-1)11-6-5-10-13-14-12(9-3-4-9)17(10)15-11/h5-6,9H,1-4,7-8H2
InChIKeyGRKRSOIGAPVNEJ-UHFFFAOYSA-N
XLogP1.60
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 53015050) is 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nnc(C3CC3)n2nc1N1CCCC1.
What is the InChIKey of 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GRKRSOIGAPVNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-8-16(7-1)11-6-5-10-13-14-12(9-3-4-9)17(10)15-11/h5-6,9H,1-4,7-8H2.
What are the key properties of 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 229.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53015050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).