6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine

C11H12ClF2N5 — CID 157032247

IUPAC6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCC1(C)CN(c2cc(Cl)nn3ncnc23)CC1(F)F
InChIInChI=1S/C11H12ClF2N5/c1-10(2)4-18(5-11(10,13)14)7-3-8(12)17-19-9(7)15-6-16-19/h3,6H,4-5H2,1-2H3
InChIKeyDSKHCYSHINNRJG-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.26
Rot. Bonds1

About 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine

6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 157032247) has the molecular formula C11H12ClF2N5 and a molecular weight of 287.70 g/mol. Its IUPAC name is 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID157032247
Molecular FormulaC11H12ClF2N5
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCC1(C)CN(c2cc(Cl)nn3ncnc23)CC1(F)F
InChIInChI=1S/C11H12ClF2N5/c1-10(2)4-18(5-11(10,13)14)7-3-8(12)17-19-9(7)15-6-16-19/h3,6H,4-5H2,1-2H3
InChIKeyDSKHCYSHINNRJG-UHFFFAOYSA-N
XLogP2.26
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine 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 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine (CID 157032247) is 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine is CC1(C)CN(c2cc(Cl)nn3ncnc23)CC1(F)F.
What is the InChIKey of 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is DSKHCYSHINNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N5/c1-10(2)4-18(5-11(10,13)14)7-3-8(12)17-19-9(7)15-6-16-19/h3,6H,4-5H2,1-2H3.
What are the key properties of 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine?
6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 287.70 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 157032247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).