6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C8H7ClF2N4O — CID 148735533

IUPAC6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOC(F)(F)c1nnc2cc(C)c(Cl)nn12
InChIInChI=1S/C8H7ClF2N4O/c1-4-3-5-12-13-7(8(10,11)16-2)15(5)14-6(4)9/h3H,1-2H3
InChIKeyOBUXRGCDATXUHS-UHFFFAOYSA-N
MW248.62 g/mol
LogP1.78
Rot. Bonds2

About 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 148735533) has the molecular formula C8H7ClF2N4O and a molecular weight of 248.62 g/mol. Its IUPAC name is 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID148735533
Molecular FormulaC8H7ClF2N4O
Molecular Weight248.62 g/mol
Exact Mass248.03
IUPAC Name6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOC(F)(F)c1nnc2cc(C)c(Cl)nn12
InChIInChI=1S/C8H7ClF2N4O/c1-4-3-5-12-13-7(8(10,11)16-2)15(5)14-6(4)9/h3H,1-2H3
InChIKeyOBUXRGCDATXUHS-UHFFFAOYSA-N
XLogP1.78
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.62
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-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

Related Compounds

6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 613657
6-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1472385
6-Chloro-3-(2,2,2-trifluoroethyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 43144349
(6-Chloro-(1,2,4)triazolo(4,3-b)pyridazin-3-yl)methanol
CID 50990671
6-Chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 71627338
6-Chloro-3,7-dimethyl-1,2,4-triazolo[4,3-b]pyridazine
CID 602696
6-Chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 609068
6-Chloro-8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53629200
6-Chloro-7-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53629201
6-Chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine
CID 57355148
6-Chloro-8-trifluoromethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine
CID 58045773
6-Chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 58136828

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 148735533) is 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine is COC(F)(F)c1nnc2cc(C)c(Cl)nn12.
What is the InChIKey of 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OBUXRGCDATXUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4O/c1-4-3-5-12-13-7(8(10,11)16-2)15(5)14-6(4)9/h3H,1-2H3.
What are the key properties of 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 248.62 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[difluoro(methoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 148735533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).