3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C30H20F10N8O4 — CID 142362308

IUPAC3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC3(F)F)n2n1
InChIInChI=1S/C16H11F5N4O2.C14H9F5N4O2/c1-26-12-6-8(27-16(19,20)21)2-3-9(12)11-4-5-13-22-23-14(25(13)24-11)10-7-15(10,17)18;1-24-10-6-7(25-14(17,18)19)2-3-8(10)9-4-5-11-20-21-13(12(15)16)23(11)22-9/h2-6,10H,7H2,1H3;2-6,12H,1H3
InChIKeyHCHWSCHHKALOKE-UHFFFAOYSA-N
MW746.52 g/mol
LogP7.46
Rot. Bonds8

About 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362308) has the molecular formula C30H20F10N8O4 and a molecular weight of 746.52 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362308
Molecular FormulaC30H20F10N8O4
Molecular Weight746.52 g/mol
Exact Mass746.14
IUPAC Name3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC3(F)F)n2n1
InChIInChI=1S/C16H11F5N4O2.C14H9F5N4O2/c1-26-12-6-8(27-16(19,20)21)2-3-9(12)11-4-5-13-22-23-14(25(13)24-11)10-7-15(10,17)18;1-24-10-6-7(25-14(17,18)19)2-3-8(10)9-4-5-11-20-21-13(12(15)16)23(11)22-9/h2-6,10H,7H2,1H3;2-6,12H,1H3
InChIKeyHCHWSCHHKALOKE-UHFFFAOYSA-N
XLogP7.46
TPSA123.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.52
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-(4-Methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53354666
6-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134153469
6-(4-Methylphenyl)-3-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134148275
6-[4-[2-(3,5-Dimethoxyphenyl)ethyl]piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16605828
6-[4-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134136057
6-(3-Fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134154021
3-[(1R)-2,2-difluorocyclopropyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555487
7-(4-Methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 53330827
2-(2,4-Dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 3243378
3-(Trifluoromethyl)-6-(p-anisyl)-1,2,4-triazolo[4,3-b]pyridazine
CID 76314856
3-[[(2R)-oxan-2-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134543541
3-[[(2S)-oxan-2-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134543672

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362308) is 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC3(F)F)n2n1.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HCHWSCHHKALOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4O2.C14H9F5N4O2/c1-26-12-6-8(27-16(19,20)21)2-3-9(12)11-4-5-13-22-23-14(25(13)24-11)10-7-15(10,17)18;1-24-10-6-7(25-14(17,18)19)2-3-8(10)9-4-5-11-20-21-13(12(15)16)23(11)22-9/h2-6,10H,7H2,1H3;2-6,12H,1H3.
What are the key properties of 3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2,2-difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 746.52 g/mol, XLogP of 7.46, 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-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).