diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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

C71H48Be2F3Ga3N26O5+8 — CID 159719907

IUPACdiberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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.Cc1cc2nc(-c3ccccn3)nc([O-])n2n1.Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.[Be+2].[Be+2].[Ga+3].[Ga+3].[Ga+3].[O-]c1nc(-c2ccccn2)nc2cc(-c3ccccc3)nn12.[O-]c1nc(-c2ccccn2)nc2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H13N5O.C16H14N6O.C16H11N5O.C11H6F3N5O.C11H9N5O.2Be.3Ga/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;1-10-8-11(2)21(20-10)13-9-17-22-15(13)18-14(19-16(22)23)12-6-4-3-5-7-12;22-16-19-15(12-8-4-5-9-17-12)18-14-10-13(20-21(14)16)11-6-2-1-3-7-11;12-11(13,14)7-5-8-16-9(6-3-1-2-4-15-6)17-10(20)19(8)18-7;1-7-6-9-13-10(8-4-2-3-5-12-8)14-11(17)16(9)15-7;;;;;/h2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-10H,(H,18,19,22);1-5H,(H,16,17,20);2-6H,1H3,(H,13,14,17);;;;;/q;;;;;2*+2;3*+3/p-5
InChIKeyHQXVBBXMCITHIA-UHFFFAOYSA-I
MW1629.53 g/mol
LogP5.77
Rot. Bonds8

About diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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

diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 159719907) has the molecular formula C71H48Be2F3Ga3N26O5+8 and a molecular weight of 1629.53 g/mol. Its IUPAC name is diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 Namediberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 CID159719907
Molecular FormulaC71H48Be2F3Ga3N26O5+8
Molecular Weight1629.53 g/mol
Exact Mass1626.22
IUPAC Namediberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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.Cc1cc2nc(-c3ccccn3)nc([O-])n2n1.Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.[Be+2].[Be+2].[Ga+3].[Ga+3].[Ga+3].[O-]c1nc(-c2ccccn2)nc2cc(-c3ccccc3)nn12.[O-]c1nc(-c2ccccn2)nc2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H13N5O.C16H14N6O.C16H11N5O.C11H6F3N5O.C11H9N5O.2Be.3Ga/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;1-10-8-11(2)21(20-10)13-9-17-22-15(13)18-14(19-16(22)23)12-6-4-3-5-7-12;22-16-19-15(12-8-4-5-9-17-12)18-14-10-13(20-21(14)16)11-6-2-1-3-7-11;12-11(13,14)7-5-8-16-9(6-3-1-2-4-15-6)17-10(20)19(8)18-7;1-7-6-9-13-10(8-4-2-3-5-12-8)14-11(17)16(9)15-7;;;;;/h2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-10H,(H,18,19,22);1-5H,(H,16,17,20);2-6H,1H3,(H,13,14,17);;;;;/q;;;;;2*+2;3*+3/p-5
InChIKeyHQXVBBXMCITHIA-UHFFFAOYSA-I
XLogP5.77
TPSA400.08 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001629.53
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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

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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
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CID 118278202

Frequently Asked Questions

What is the IUPAC name of diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 159719907) is diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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.Cc1cc2nc(-c3ccccn3)nc([O-])n2n1.Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.[Be+2].[Be+2].[Ga+3].[Ga+3].[Ga+3].[O-]c1nc(-c2ccccn2)nc2cc(-c3ccccc3)nn12.[O-]c1nc(-c2ccccn2)nc2cc(C(F)(F)F)nn12.
What is the InChIKey of diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 HQXVBBXMCITHIA-UHFFFAOYSA-I. The full InChI is InChI=1S/C17H13N5O.C16H14N6O.C16H11N5O.C11H6F3N5O.C11H9N5O.2Be.3Ga/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;1-10-8-11(2)21(20-10)13-9-17-22-15(13)18-14(19-16(22)23)12-6-4-3-5-7-12;22-16-19-15(12-8-4-5-9-17-12)18-14-10-13(20-21(14)16)11-6-2-1-3-7-11;12-11(13,14)7-5-8-16-9(6-3-1-2-4-15-6)17-10(20)19(8)18-7;1-7-6-9-13-10(8-4-2-3-5-12-8)14-11(17)16(9)15-7;;;;;/h2-10H,1H3,(H,19,20,23);3-9H,1-2H3,(H,18,19,23);1-10H,(H,18,19,22);1-5H,(H,16,17,20);2-6H,1H3,(H,13,14,17);;;;;/q;;;;;2*+2;3*+3/p-5.
What are the key properties of diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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?
diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 1629.53 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for diberyllium;trigallium;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-methyl-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-phenyl-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 159719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).