3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C30H19F11N10O2 — CID 142362447

IUPAC3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cc(-c2ccc3nnc(C4(F)CC4)n3n2)cnc1OCC(F)(F)F.Fc1cc(-c2ccc3nnc(C4CC4(F)F)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H9F6N5O.C15H10F5N5O/c16-9-3-7(5-22-13(9)27-6-15(19,20)21)10-1-2-11-23-24-12(26(11)25-10)8-4-14(8,17)18;16-9-5-8(6-21-12(9)26-7-15(18,19)20)10-1-2-11-22-23-13(25(11)24-10)14(17)3-4-14/h1-3,5,8H,4,6H2;1-2,5-6H,3-4,7H2
InChIKeyKXONMXDAGPEUDB-UHFFFAOYSA-N
MW760.53 g/mol
LogP6.61
Rot. Bonds8

About 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362447) has the molecular formula C30H19F11N10O2 and a molecular weight of 760.53 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362447
Molecular FormulaC30H19F11N10O2
Molecular Weight760.53 g/mol
Exact Mass760.15
IUPAC Name3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cc(-c2ccc3nnc(C4(F)CC4)n3n2)cnc1OCC(F)(F)F.Fc1cc(-c2ccc3nnc(C4CC4(F)F)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H9F6N5O.C15H10F5N5O/c16-9-3-7(5-22-13(9)27-6-15(19,20)21)10-1-2-11-23-24-12(26(11)25-10)8-4-14(8,17)18;16-9-5-8(6-21-12(9)26-7-15(18,19)20)10-1-2-11-22-23-13(25(11)24-10)14(17)3-4-14/h1-3,5,8H,4,6H2;1-2,5-6H,3-4,7H2
InChIKeyKXONMXDAGPEUDB-UHFFFAOYSA-N
XLogP6.61
TPSA130.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500760.53
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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

3,7-Diphenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo[4,3-b]pyridazine
CID 9917995
6-[4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 42635876
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
3-(Cyclopropylmethyl)-7-[4-(2-cyclopropylpyridin-4-yl)oxy-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66784572
4-(3-(4-fluorobenzyl)-3,4-dihydro-5-oxa-1,2,2a1-triazaacenaphthylen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 118146160
4-(3-(3,4-difluorobenzyl)-3,4-dihydro-5-oxa-1,2,2a1-triazaacenaphthylen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 118146222
4-[(5R)-5-[(4-fluorophenyl)methyl]-7-oxa-2,3,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118200126
4-[(5S)-5-[(4-fluorophenyl)methyl]-7-oxa-2,3,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145713245
4-[(5S)-5-[(3,4-difluorophenyl)methyl]-7-oxa-2,3,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145713252
4-[(5R)-5-[(3,4-difluorophenyl)methyl]-7-oxa-2,3,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145995650
N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine
CID 46947912
1-Methyl-3-pyridin-3-yl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine
CID 76328949

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362447) is 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cc(-c2ccc3nnc(C4(F)CC4)n3n2)cnc1OCC(F)(F)F.Fc1cc(-c2ccc3nnc(C4CC4(F)F)n3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KXONMXDAGPEUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N5O.C15H10F5N5O/c16-9-3-7(5-22-13(9)27-6-15(19,20)21)10-1-2-11-23-24-12(26(11)25-10)8-4-14(8,17)18;16-9-5-8(6-21-12(9)26-7-15(18,19)20)10-1-2-11-22-23-13(25(11)24-10)14(17)3-4-14/h1-3,5,8H,4,6H2;1-2,5-6H,3-4,7H2.
What are the key properties of 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 760.53 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).