tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt

C40H34Cl2CoN17Na4O17S3+3 — CID 71301423

About tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt

tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt (PubChem CID 71301423) has the molecular formula C40H34Cl2CoN17Na4O17S3+3 and a molecular weight of 1342.81 g/mol. Its IUPAC name is tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt.

Molecular Properties

• Compound Name: tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt
• PubChem CID: 71301423
• Molecular Formula: C40H34Cl2CoN17Na4O17S3+3
• Molecular Weight: 1342.81 g/mol
• Exact Mass: 1340.98
• IUPAC Name: tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt
• SMILES: Cc1n[nH]c(=O)[c-]1/N=N/c1cc(S(=O)(=O)O)cc(Nc2nc(Cl)nc(NCCO)n2)c1O.O=[N+]([O-])c1ccc2c(/N=N/c3c(S(=O)(=O)O)cc4cc(Nc5nc(Cl)nc(NCCO)n5)ccc4c3O)c(O)cc(S(=O)(=O)O)c2c1.[Co].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C25H19ClN8O11S2.C15H15ClN9O6S.Co.4Na/c26-23-29-24(27-5-6-35)31-25(30-23)28-12-1-3-14-11(7-12)8-19(47(43,44)45)21(22(14)37)33-32-20-15-4-2-13(34(38)39)9-16(15)18(10-17(20)36)46(40,41)42;1-6-10(12(28)25-22-6)24-23-9-5-7(32(29,30)31)4-8(11(9)27)18-15-20-13(16)19-14(21-15)17-2-3-26;;;;;/h1-4,7-10,35-37H,5-6H2,(H,40,41,42)(H,43,44,45)(H2,27,28,29,30,31);4-5,26-27H,2-3H2,1H3,(H,25,28)(H,29,30,31)(H2,17,18,19,20,21);;;;;/q;-1;;4*+1/b33-32+;24-23+
• InChIKey: IQPBNQLMRUPTAE-IIIKKTSOSA-N
• XLogP: -6.63
• TPSA: 528.05 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.81
LogP ≤ 5	-6.63
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt?

The IUPAC name of tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt (CID 71301423) is tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt.

What is the SMILES notation for tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt?

The canonical SMILES for tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt is Cc1n[nH]c(=O)[c-]1/N=N/c1cc(S(=O)(=O)O)cc(Nc2nc(Cl)nc(NCCO)n2)c1O.O=[N+]([O-])c1ccc2c(/N=N/c3c(S(=O)(=O)O)cc4cc(Nc5nc(Cl)nc(NCCO)n5)ccc4c3O)c(O)cc(S(=O)(=O)O)c2c1.[Co].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt?

The InChIKey is IQPBNQLMRUPTAE-IIIKKTSOSA-N. The full InChI is InChI=1S/C25H19ClN8O11S2.C15H15ClN9O6S.Co.4Na/c26-23-29-24(27-5-6-35)31-25(30-23)28-12-1-3-14-11(7-12)8-19(47(43,44)45)21(22(14)37)33-32-20-15-4-2-13(34(38)39)9-16(15)18(10-17(20)36)46(40,41)42;1-6-10(12(28)25-22-6)24-23-9-5-7(32(29,30)31)4-8(11(9)27)18-15-20-13(16)19-14(21-15)17-2-3-26;;;;;/h1-4,7-10,35-37H,5-6H2,(H,40,41,42)(H,43,44,45)(H2,27,28,29,30,31);4-5,26-27H,2-3H2,1H3,(H,25,28)(H,29,30,31)(H2,17,18,19,20,21);;;;;/q;-1;;4*+1/b33-32+;24-23+;;;;;.

What are the key properties of tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt?

tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt has a molecular weight of 1342.81 g/mol, XLogP of -6.63, 18 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;7-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;3-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-id-4-yl)diazenyl]benzenesulfonic acid;cobalt is sourced from PubChem (CID 71301423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).