2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile

C16H13FN6O — CID 133497739

IUPAC2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile
SMILESN#CCC1(O)CN(c2ccc3nnc(-c4ccccc4F)n3n2)C1
InChIInChI=1S/C16H13FN6O/c17-12-4-2-1-3-11(12)15-20-19-13-5-6-14(21-23(13)15)22-9-16(24,10-22)7-8-18/h1-6,24H,7,9-10H2
InChIKeyLHGXNMOGUSAKIK-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.40
Rot. Bonds3

About 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile

2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile (PubChem CID 133497739) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile
PubChem CID133497739
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile
SMILESN#CCC1(O)CN(c2ccc3nnc(-c4ccccc4F)n3n2)C1
InChIInChI=1S/C16H13FN6O/c17-12-4-2-1-3-11(12)15-20-19-13-5-6-14(21-23(13)15)22-9-16(24,10-22)7-8-18/h1-6,24H,7,9-10H2
InChIKeyLHGXNMOGUSAKIK-UHFFFAOYSA-N
XLogP1.40
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile (CID 133497739) is 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile is N#CCC1(O)CN(c2ccc3nnc(-c4ccccc4F)n3n2)C1.
What is the InChIKey of 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile?
The InChIKey is LHGXNMOGUSAKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c17-12-4-2-1-3-11(12)15-20-19-13-5-6-14(21-23(13)15)22-9-16(24,10-22)7-8-18/h1-6,24H,7,9-10H2.
What are the key properties of 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile?
2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile has a molecular weight of 324.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-hydroxyazetidin-3-yl]acetonitrile is sourced from PubChem (CID 133497739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).