hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate

C63H53N17O7Zn6+6 — CID 161458078

IUPAChexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate
SMILESCc1cc([O-])n(-n2nc(C)cc2C)c1.Cc1ccc([O-])n1-c1cocn1.Cc1cccc(-c2nc([O-])n(-c3ccccn3)n2)c1.[O-]c1c(-c2ccccc2)cnn1-c1ccccn1.[O-]c1cccn1-c1ccccn1.[O-]c1cccn1-c1cnccn1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C14H12N4O.C14H11N3O.C10H13N3O.C9H8N2O.C8H7N3O.C8H8N2O2.6Zn/c1-10-5-4-6-11(9-10)13-16-14(19)18(17-13)12-7-2-3-8-15-12;18-14-12(11-6-2-1-3-7-11)10-16-17(14)13-8-4-5-9-15-13;1-7-4-10(14)12(6-7)13-9(3)5-8(2)11-13;12-9-5-3-7-11(9)8-4-1-2-6-10-8;12-8-2-1-5-11(8)7-6-9-3-4-10-7;1-6-2-3-8(11)10(6)7-4-12-5-9-7;;;;;;/h2-9H,1H3,(H,16,17,19);1-10,18H;4-6,14H,1-3H3;1-7,12H;1-6,12H;2-5,11H,1H3;;;;;;/q;;;;;;6*+2/p-6
InChIKeyWBKRQSMOMZZBHZ-UHFFFAOYSA-H
MW1552.57 g/mol
LogP6.83
Rot. Bonds8

About hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate

hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate (PubChem CID 161458078) has the molecular formula C63H53N17O7Zn6+6 and a molecular weight of 1552.57 g/mol. Its IUPAC name is hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate.

Molecular Properties

Compound Namehexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate
PubChem CID161458078
Molecular FormulaC63H53N17O7Zn6+6
Molecular Weight1552.57 g/mol
Exact Mass1543.00
IUPAC Namehexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate
SMILESCc1cc([O-])n(-n2nc(C)cc2C)c1.Cc1ccc([O-])n1-c1cocn1.Cc1cccc(-c2nc([O-])n(-c3ccccn3)n2)c1.[O-]c1c(-c2ccccc2)cnn1-c1ccccn1.[O-]c1cccn1-c1ccccn1.[O-]c1cccn1-c1cnccn1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C14H12N4O.C14H11N3O.C10H13N3O.C9H8N2O.C8H7N3O.C8H8N2O2.6Zn/c1-10-5-4-6-11(9-10)13-16-14(19)18(17-13)12-7-2-3-8-15-12;18-14-12(11-6-2-1-3-7-11)10-16-17(14)13-8-4-5-9-15-13;1-7-4-10(14)12(6-7)13-9(3)5-8(2)11-13;12-9-5-3-7-11(9)8-4-1-2-6-10-8;12-8-2-1-5-11(8)7-6-9-3-4-10-7;1-6-2-3-8(11)10(6)7-4-12-5-9-7;;;;;;/h2-9H,1H3,(H,16,17,19);1-10,18H;4-6,14H,1-3H3;1-7,12H;1-6,12H;2-5,11H,1H3;;;;;;/q;;;;;;6*+2/p-6
InChIKeyWBKRQSMOMZZBHZ-UHFFFAOYSA-H
XLogP6.83
TPSA314.91 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.57
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate with MolForge

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Related Compounds

Hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
CID 158207102
Diberyllium;digallium;dizinc;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate);bis(5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate);5-methyl-2-pyridin-2-ylpyrazol-3-olate
CID 159792447
CID 160291062
CID 160291062
1-Methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
CID 161214577
Tetraaluminum;digallium;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate;1,3-diphenyl-5-pyridin-2-ylpyrazol-4-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;1-pyridin-2-ylpyrrol-2-olate
CID 161738348
2-(2,3-Dimethylimidazol-4-yl)-1-methyl-6-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)pyridin-1-ium;2-(2,5-dimethylpyrazol-3-yl)-1-methyl-6-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)pyridin-1-ium;3-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;1-methyl-2-(2-methyl-1-propan-2-ylpyrazol-1-ium-3-yl)-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 162014776

Frequently Asked Questions

What is the IUPAC name of hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate?
The IUPAC name of hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate (CID 161458078) is hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate.
What is the SMILES notation for hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate?
The canonical SMILES for hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate is Cc1cc([O-])n(-n2nc(C)cc2C)c1.Cc1ccc([O-])n1-c1cocn1.Cc1cccc(-c2nc([O-])n(-c3ccccn3)n2)c1.[O-]c1c(-c2ccccc2)cnn1-c1ccccn1.[O-]c1cccn1-c1ccccn1.[O-]c1cccn1-c1cnccn1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate?
The InChIKey is WBKRQSMOMZZBHZ-UHFFFAOYSA-H. The full InChI is InChI=1S/C14H12N4O.C14H11N3O.C10H13N3O.C9H8N2O.C8H7N3O.C8H8N2O2.6Zn/c1-10-5-4-6-11(9-10)13-16-14(19)18(17-13)12-7-2-3-8-15-12;18-14-12(11-6-2-1-3-7-11)10-16-17(14)13-8-4-5-9-15-13;1-7-4-10(14)12(6-7)13-9(3)5-8(2)11-13;12-9-5-3-7-11(9)8-4-1-2-6-10-8;12-8-2-1-5-11(8)7-6-9-3-4-10-7;1-6-2-3-8(11)10(6)7-4-12-5-9-7;;;;;;/h2-9H,1H3,(H,16,17,19);1-10,18H;4-6,14H,1-3H3;1-7,12H;1-6,12H;2-5,11H,1H3;;;;;;/q;;;;;;6*+2/p-6.
What are the key properties of hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate?
hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate has a molecular weight of 1552.57 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for hexazinc;1-(3,5-dimethylpyrazol-1-yl)-4-methylpyrrol-2-olate;5-methyl-1-(1,3-oxazol-4-yl)pyrrol-2-olate;5-(3-methylphenyl)-2-pyridin-2-yl-1,2,4-triazol-3-olate;4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-ylpyrrol-2-olate is sourced from PubChem (CID 161458078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).