7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C15H11ClF5N5O — CID 158044214

IUPAC7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F
InChIInChI=1S/C15H11ClF5N5O/c1-7(15(19,20)21)27-11-4-3-8(6-22-11)12-9(16)5-10-23-24-13(14(2,17)18)26(10)25-12/h3-7H,1-2H3/t7-/m0/s1
InChIKeyHEHWJBRWOFRCGC-ZETCQYMHSA-N
MW407.73 g/mol
LogP4.28
Rot. Bonds4

About 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158044214) has the molecular formula C15H11ClF5N5O and a molecular weight of 407.73 g/mol. Its IUPAC name is 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID158044214
Molecular FormulaC15H11ClF5N5O
Molecular Weight407.73 g/mol
Exact Mass407.06
IUPAC Name7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC[C@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F
InChIInChI=1S/C15H11ClF5N5O/c1-7(15(19,20)21)27-11-4-3-8(6-22-11)12-9(16)5-10-23-24-13(14(2,17)18)26(10)25-12/h3-7H,1-2H3/t7-/m0/s1
InChIKeyHEHWJBRWOFRCGC-ZETCQYMHSA-N
XLogP4.28
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.73
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-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-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 158044217
7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155337969
3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;6-[2-methoxy-4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362424
3-[bromo(difluoro)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370780
3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 149226272
6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155338056
6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 66277354
6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 175773581
[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol
CID 66274832
N-[(Z)-2-[3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-triazol-4-yl]-1-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]ethenyl]methanimine
CID 166955475
3-(difluoromethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155364632
3-(1,1-difluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 160994170

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 158044214) is 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is C[C@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F.
What is the InChIKey of 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HEHWJBRWOFRCGC-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H11ClF5N5O/c1-7(15(19,20)21)27-11-4-3-8(6-22-11)12-9(16)5-10-23-24-13(14(2,17)18)26(10)25-12/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 407.73 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 158044214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).