3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H17FN8O — CID 166260507

IUPAC3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOC1(c2cnnn2C)CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1
InChIInChI=1S/C18H17FN8O/c1-25-14(9-20-24-25)18(28-2)10-26(11-18)16-7-6-15-21-22-17(27(15)23-16)12-4-3-5-13(19)8-12/h3-9H,10-11H2,1-2H3
InChIKeyUCAISRYKDIFMTL-UHFFFAOYSA-N
MW380.39 g/mol
LogP1.42
Rot. Bonds4

About 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166260507) has the molecular formula C18H17FN8O and a molecular weight of 380.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166260507
Molecular FormulaC18H17FN8O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOC1(c2cnnn2C)CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1
InChIInChI=1S/C18H17FN8O/c1-25-14(9-20-24-25)18(28-2)10-26(11-18)16-7-6-15-21-22-17(27(15)23-16)12-4-3-5-13(19)8-12/h3-9H,10-11H2,1-2H3
InChIKeyUCAISRYKDIFMTL-UHFFFAOYSA-N
XLogP1.42
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 166260507) is 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COC1(c2cnnn2C)CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UCAISRYKDIFMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN8O/c1-25-14(9-20-24-25)18(28-2)10-26(11-18)16-7-6-15-21-22-17(27(15)23-16)12-4-3-5-13(19)8-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 380.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166260507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).