tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate

C61H42Al4F3N21O4+8 — CID 157220125

IUPACtetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
SMILESCc1cc(C)n(-c2cnn3c([O-])nc(-c4ccccc4)nc23)n1.Cc1ccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.[Al+3].[Al+3].[Al+3].[Al+3].[O-]c1nc(-c2ccccn2)nc2cc(C(F)(F)F)nn12
InChIInChI=1S/2C17H13N5O.C16H14N6O.C11H6F3N5O.4Al/c1-11-5-4-6-12(9-11)14-10-15-19-16(13-7-2-3-8-18-13)20-17(23)22(15)21-14;1-11-5-7-12(8-6-11)14-10-15-19-16(13-4-2-3-9-18-13)20-17(23)22(15)21-14;1-10-8-11(2)21(20-10)13-9-17-22-15(13)18-14(19-16(22)23)12-6-4-3-5-7-12;12-11(13,14)7-5-8-16-9(6-3-1-2-4-15-6)17-10(20)19(8)18-7;;;;/h2*2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-5H,(H,16,17,20);;;;/q;;;;4*+3/p-4
InChIKeyANLQAPHSCHQPEJ-UHFFFAOYSA-J
MW1298.07 g/mol
LogP5.89
Rot. Bonds7

About tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate

tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate (PubChem CID 157220125) has the molecular formula C61H42Al4F3N21O4+8 and a molecular weight of 1298.07 g/mol. Its IUPAC name is tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate.

Molecular Properties

Compound Nametetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
PubChem CID157220125
Molecular FormulaC61H42Al4F3N21O4+8
Molecular Weight1298.07 g/mol
Exact Mass1297.29
IUPAC Nametetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
SMILESCc1cc(C)n(-c2cnn3c([O-])nc(-c4ccccc4)nc23)n1.Cc1ccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.[Al+3].[Al+3].[Al+3].[Al+3].[O-]c1nc(-c2ccccn2)nc2cc(C(F)(F)F)nn12
InChIInChI=1S/2C17H13N5O.C16H14N6O.C11H6F3N5O.4Al/c1-11-5-4-6-12(9-11)14-10-15-19-16(13-7-2-3-8-18-13)20-17(23)22(15)21-14;1-11-5-7-12(8-6-11)14-10-15-19-16(13-4-2-3-9-18-13)20-17(23)22(15)21-14;1-10-8-11(2)21(20-10)13-9-17-22-15(13)18-14(19-16(22)23)12-6-4-3-5-7-12;12-11(13,14)7-5-8-16-9(6-3-1-2-4-15-6)17-10(20)19(8)18-7;;;;/h2*2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-5H,(H,16,17,20);;;;/q;;;;4*+3/p-4
InChIKeyANLQAPHSCHQPEJ-UHFFFAOYSA-J
XLogP5.89
TPSA321.05 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001298.07
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate with MolForge

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Related Compounds

3-[Difluoro-[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 44552657
3-[Difluoro-[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 44555058
3-[Difluoro-[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 44555216
5-(3,5-Difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine
CID 58289787
N-[2-[4-[2-[3-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethyl]-N-ethylpropan-1-amine
CID 70943217
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 87327297
1,2-Bis[3-(4-methylpiperazin-1-yl)phenyl]-1,2-bis[8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 87577635
1,2-Bis[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-1,2-bis[8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 87577660
1-[4-[[8-[4-[[4-Fluoro-3-[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 90877281
N-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[[4-[2-[[1-(difluoromethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methyl]-5-methylmorpholin-2-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-2-amine
CID 91421822
2-(Difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278202
2,3-Dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278214

Frequently Asked Questions

What is the IUPAC name of tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate?
The IUPAC name of tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate (CID 157220125) is tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate.
What is the SMILES notation for tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate?
The canonical SMILES for tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate is Cc1cc(C)n(-c2cnn3c([O-])nc(-c4ccccc4)nc23)n1.Cc1ccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.[Al+3].[Al+3].[Al+3].[Al+3].[O-]c1nc(-c2ccccn2)nc2cc(C(F)(F)F)nn12.
What is the InChIKey of tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate?
The InChIKey is ANLQAPHSCHQPEJ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C17H13N5O.C16H14N6O.C11H6F3N5O.4Al/c1-11-5-4-6-12(9-11)14-10-15-19-16(13-7-2-3-8-18-13)20-17(23)22(15)21-14;1-11-5-7-12(8-6-11)14-10-15-19-16(13-4-2-3-9-18-13)20-17(23)22(15)21-14;1-10-8-11(2)21(20-10)13-9-17-22-15(13)18-14(19-16(22)23)12-6-4-3-5-7-12;12-11(13,14)7-5-8-16-9(6-3-1-2-4-15-6)17-10(20)19(8)18-7;;;;/h2*2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-5H,(H,16,17,20);;;;/q;;;;4*+3/p-4.
What are the key properties of tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate?
tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate has a molecular weight of 1298.07 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate is sourced from PubChem (CID 157220125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).