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

C8H7ClF2N4O — CID 156754751

IUPAC6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc2nnc(COC(F)F)n2nc1Cl
InChIInChI=1S/C8H7ClF2N4O/c1-4-2-5-12-13-6(3-16-8(10)11)15(5)14-7(4)9/h2,8H,3H2,1H3
InChIKeyOUYCGOZBWSAWEX-UHFFFAOYSA-N
MW248.62 g/mol
LogP1.83
Rot. Bonds3

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

6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 156754751) has the molecular formula C8H7ClF2N4O and a molecular weight of 248.62 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID156754751
Molecular FormulaC8H7ClF2N4O
Molecular Weight248.62 g/mol
Exact Mass248.03
IUPAC Name6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc2nnc(COC(F)F)n2nc1Cl
InChIInChI=1S/C8H7ClF2N4O/c1-4-2-5-12-13-6(3-16-8(10)11)15(5)14-7(4)9/h2,8H,3H2,1H3
InChIKeyOUYCGOZBWSAWEX-UHFFFAOYSA-N
XLogP1.83
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.62
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 6-chloro-(1,2,4)triazolo(4,3-b)pyridazine-3-carboxylate
CID 11287584
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-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-8-trifluoromethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine
CID 58045773
6-Chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81441049
6-Chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine trifluoroacetate
CID 86650795
[(6-Chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino] 2,2,2-trifluoroacetate
CID 87209919
6-Chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 87362653

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 156754751) is 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc2nnc(COC(F)F)n2nc1Cl.
What is the InChIKey of 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OUYCGOZBWSAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4O/c1-4-2-5-12-13-6(3-16-8(10)11)15(5)14-7(4)9/h2,8H,3H2,1H3.
What are the key properties of 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 248.62 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 156754751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).