3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C17H18N6O — CID 163357127

IUPAC3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cncc(OCC2CN(c3ccc4nnc(C5CC5)n4n3)C2)c1
InChIInChI=1S/C17H18N6O/c1-2-14(8-18-7-1)24-11-12-9-22(10-12)16-6-5-15-19-20-17(13-3-4-13)23(15)21-16/h1-2,5-8,12-13H,3-4,9-11H2
InChIKeyIOFPKTOQLGAXPR-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.91
Rot. Bonds5

About 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 163357127) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID163357127
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cncc(OCC2CN(c3ccc4nnc(C5CC5)n4n3)C2)c1
InChIInChI=1S/C17H18N6O/c1-2-14(8-18-7-1)24-11-12-9-22(10-12)16-6-5-15-19-20-17(13-3-4-13)23(15)21-16/h1-2,5-8,12-13H,3-4,9-11H2
InChIKeyIOFPKTOQLGAXPR-UHFFFAOYSA-N
XLogP1.91
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 163357127) is 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1cncc(OCC2CN(c3ccc4nnc(C5CC5)n4n3)C2)c1.
What is the InChIKey of 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IOFPKTOQLGAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-2-14(8-18-7-1)24-11-12-9-22(10-12)16-6-5-15-19-20-17(13-3-4-13)23(15)21-16/h1-2,5-8,12-13H,3-4,9-11H2.
What are the key properties of 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 322.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 163357127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).