7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C22H21F2N7O — CID 22609947

IUPAC7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C1(C)CC=C(F)CC1
InChIInChI=1S/C22H21F2N7O/c1-22(9-7-14(23)8-10-22)16-11-18-27-28-20(15-5-3-4-6-17(15)24)31(18)29-21(16)32-12-19-25-13-26-30(19)2/h3-7,11,13H,8-10,12H2,1-2H3
InChIKeyXRGWGPGRZPNTSL-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.93
Rot. Bonds5

About 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 22609947) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID22609947
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C1(C)CC=C(F)CC1
InChIInChI=1S/C22H21F2N7O/c1-22(9-7-14(23)8-10-22)16-11-18-27-28-20(15-5-3-4-6-17(15)24)31(18)29-21(16)32-12-19-25-13-26-30(19)2/h3-7,11,13H,8-10,12H2,1-2H3
InChIKeyXRGWGPGRZPNTSL-UHFFFAOYSA-N
XLogP3.93
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 54421662
3-(2-fluorophenyl)-7-(2-methylpropyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 22609945
7-tert-butyl-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 11631938
3-(2-fluorophenyl)-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-[[2-(2,2,2-trideuterioethyl)-1,2,4-triazol-3-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 50903223
6-[[2-(1,1-dideuterioethyl)-1,2,4-triazol-3-yl]methoxy]-3-(2-fluorophenyl)-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 50902054
7-(2,6-difluorophenyl)-3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
CID 18406905
6-(1H-benzimidazol-2-ylmethoxy)-3-(2,4-difluorophenyl)-7-(1-methylcyclopentyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 22457783
3-(4-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 54008973
6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 21187502
7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 22609941
6-[dideuterio-(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-(2-fluorophenyl)-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 50902053
6-[(5-deuterio-2-methyl-1,2,4-triazol-3-yl)methoxy]-3-(2,5-difluorophenyl)-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 46186686

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 22609947) is 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is Cn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C1(C)CC=C(F)CC1.
What is the InChIKey of 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XRGWGPGRZPNTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c1-22(9-7-14(23)8-10-22)16-11-18-27-28-20(15-5-3-4-6-17(15)24)31(18)29-21(16)32-12-19-25-13-26-30(19)2/h3-7,11,13H,8-10,12H2,1-2H3.
What are the key properties of 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 437.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-1-methylcyclohex-3-en-1-yl)-3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 22609947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).