6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C11H13ClF2N4O — CID 103208773

IUPAC6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CCOCC(F)F)nnc2c1C
InChIInChI=1S/C11H13ClF2N4O/c1-6-7(2)11-16-15-9(18(11)17-10(6)12)3-4-19-5-8(13)14/h8H,3-5H2,1-2H3
InChIKeyUGLMZHRAAJUQHO-UHFFFAOYSA-N
MW290.70 g/mol
LogP2.22
Rot. Bonds5

About 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 103208773) has the molecular formula C11H13ClF2N4O and a molecular weight of 290.70 g/mol. Its IUPAC name is 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID103208773
Molecular FormulaC11H13ClF2N4O
Molecular Weight290.70 g/mol
Exact Mass290.07
IUPAC Name6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CCOCC(F)F)nnc2c1C
InChIInChI=1S/C11H13ClF2N4O/c1-6-7(2)11-16-15-9(18(11)17-10(6)12)3-4-19-5-8(13)14/h8H,3-5H2,1-2H3
InChIKeyUGLMZHRAAJUQHO-UHFFFAOYSA-N
XLogP2.22
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 71627338
6-Chloro-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81441704
6-Chloro-7-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53629201
6-Chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 58136828
6-Chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81441049
(6-Chloro-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)(2,2,2-trifluoroethyl)amine
CID 86650801
6-Chloro-3-(difluoro(methoxy)methyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 148735533
6-Chloro-3-(difluoromethoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 156754751
6-Chloro-7-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 168223108
6-Chloro-3-(difluoromethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178623031
6-Chloro-7,8-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 81438599
6-Chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 81438661

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 103208773) is 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(CCOCC(F)F)nnc2c1C.
What is the InChIKey of 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UGLMZHRAAJUQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N4O/c1-6-7(2)11-16-15-9(18(11)17-10(6)12)3-4-19-5-8(13)14/h8H,3-5H2,1-2H3.
What are the key properties of 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 290.70 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(2,2-difluoroethoxy)ethyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 103208773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).