6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid

C21H19N15O7S2 — CID 136500895

IUPAC6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid
SMILESCc1nn(-c2nc(-n3nc(C)c(/N=N/c4ccc(S(=O)(=O)O)cn4)c3N)[nH]c(=O)n2)c(N)c1/N=N/c1ccc(S(=O)(=O)O)cn1
InChIInChI=1S/C21H19N15O7S2/c1-9-15(31-29-13-5-3-11(7-24-13)44(38,39)40)17(22)35(33-9)19-26-20(28-21(37)27-19)36-18(23)16(10(2)34-36)32-30-14-6-4-12(8-25-14)45(41,42)43/h3-8H,22-23H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,26,27,28,37)/b31-29+,32-30+
InChIKeyDYGRXMJNBVJWIW-JWTBXLROSA-N
MW657.62 g/mol
LogP1.43
Rot. Bonds8

About 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid

6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid (PubChem CID 136500895) has the molecular formula C21H19N15O7S2 and a molecular weight of 657.62 g/mol. Its IUPAC name is 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid.

Molecular Properties

Compound Name6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid
PubChem CID136500895
Molecular FormulaC21H19N15O7S2
Molecular Weight657.62 g/mol
Exact Mass657.10
IUPAC Name6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid
SMILESCc1nn(-c2nc(-n3nc(C)c(/N=N/c4ccc(S(=O)(=O)O)cn4)c3N)[nH]c(=O)n2)c(N)c1/N=N/c1ccc(S(=O)(=O)O)cn1
InChIInChI=1S/C21H19N15O7S2/c1-9-15(31-29-13-5-3-11(7-24-13)44(38,39)40)17(22)35(33-9)19-26-20(28-21(37)27-19)36-18(23)16(10(2)34-36)32-30-14-6-4-12(8-25-14)45(41,42)43/h3-8H,22-23H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,26,27,28,37)/b31-29+,32-30+
InChIKeyDYGRXMJNBVJWIW-JWTBXLROSA-N
XLogP1.43
TPSA330.28 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.62
LogP ≤ 51.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[5-amino-1-[4-[5-amino-4-[(4-methoxycarbonyl-1H-pyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1H-pyrazole-4-carboxylate
CID 136597672
trilithium;6-[[5-amino-1-[4-[5-amino-3-methyl-4-(3H-pyridin-3-id-6-yldiazenyl)pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonate
CID 91865697
2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 136795257
2-[[5-amino-3-methyl-1-(4-sulfophenyl)pyrazol-4-yl]diazenyl]-1,3-benzothiazole-5-sulfonic acid
CID 136593881
4-[(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonic acid
CID 135508279
4-[5-[[5-amino-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzenesulfinic acid
CID 163454388
2-[[5-amino-3-methyl-1-(3-methyl-4-sulfophenyl)pyrazol-4-yl]diazenyl]-1,3-benzothiazole-6-sulfonic acid
CID 136502805
7-(4,5-diamino-3-methylpyrazol-1-yl)naphthalene-2-sulfonic acid
CID 142894207
methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carboxylate
CID 135979365
4-[(2,4-dimethylphenyl)diazenyl]-3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-olate
CID 136775446
[4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorophenyl]methanesulfonic acid
CID 157273292
6-amino-5-methyl-1H-pyrimidin-2-one;sulfo hydrogen sulfate
CID 174867946

Frequently Asked Questions

What is the IUPAC name of 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid?
The IUPAC name of 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid (CID 136500895) is 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid.
What is the SMILES notation for 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid?
The canonical SMILES for 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid is Cc1nn(-c2nc(-n3nc(C)c(/N=N/c4ccc(S(=O)(=O)O)cn4)c3N)[nH]c(=O)n2)c(N)c1/N=N/c1ccc(S(=O)(=O)O)cn1.
What is the InChIKey of 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid?
The InChIKey is DYGRXMJNBVJWIW-JWTBXLROSA-N. The full InChI is InChI=1S/C21H19N15O7S2/c1-9-15(31-29-13-5-3-11(7-24-13)44(38,39)40)17(22)35(33-9)19-26-20(28-21(37)27-19)36-18(23)16(10(2)34-36)32-30-14-6-4-12(8-25-14)45(41,42)43/h3-8H,22-23H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,26,27,28,37)/b31-29+,32-30+.
What are the key properties of 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid?
6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid has a molecular weight of 657.62 g/mol, XLogP of 1.43, 8 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-amino-1-[4-[5-amino-3-methyl-4-[(5-sulfo-2-pyridinyl)diazenyl]pyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]pyridine-3-sulfonic acid is sourced from PubChem (CID 136500895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).