5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid

C12H13N5O4S — CID 135987201

IUPAC5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid
SMILES[H]/N=N/c1c(S(=O)(=O)O)cc2cc(C)c(/N=N/C)c(N)c2c1O
InChIInChI=1S/C12H13N5O4S/c1-5-3-6-4-7(22(19,20)21)11(16-14)12(18)8(6)9(13)10(5)17-15-2/h3-4,14,18H,13H2,1-2H3,(H,19,20,21)/b16-14+,17-15+
InChIKeyTWMSBGMFTDXXLH-YXLFCKQPSA-N
MW323.33 g/mol
LogP3.06
Rot. Bonds3

About 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid

5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid (PubChem CID 135987201) has the molecular formula C12H13N5O4S and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid
PubChem CID135987201
Molecular FormulaC12H13N5O4S
Molecular Weight323.33 g/mol
Exact Mass323.07
IUPAC Name5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid
SMILES[H]/N=N/c1c(S(=O)(=O)O)cc2cc(C)c(/N=N/C)c(N)c2c1O
InChIInChI=1S/C12H13N5O4S/c1-5-3-6-4-7(22(19,20)21)11(16-14)12(18)8(6)9(13)10(5)17-15-2/h3-4,14,18H,13H2,1-2H3,(H,19,20,21)/b16-14+,17-15+
InChIKeyTWMSBGMFTDXXLH-YXLFCKQPSA-N
XLogP3.06
TPSA161.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid
CID 135985597
4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
4-amino-5-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-1,7-disulfonic acid
CID 136621094
8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene
CID 136649512
4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135723137
5-amino-6-[(2-chloro-4-methyl-6-sulfophenyl)diazenyl]-3-[(2,5-dimethylphenyl)diazenyl]-4-hydroxy-7-methylnaphthalene-2-sulfonic acid
CID 135714491
4-amino-5-hydroxy-3,6,7-trimethylnaphthalene-2-sulfonic acid
CID 22942497
5-amino-3,6-bis[[4-[2-(dibutylamino)ethylsulfonyl]phenyl]diazenyl]-4-hydroxy-7-methylnaphthalene-2-sulfonic acid
CID 165013681
disodium;4-[[4-[[8-amino-1-hydroxy-7-[[4-[(4-oxidophenyl)diazenyl]phenyl]diazenyl]-3,6-disulfonaphthalen-2-yl]diazenyl]phenyl]diazenyl]phenolate
CID 136785089
4-amino-3,6-bis[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135437239
4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136658587
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid?
The IUPAC name of 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid (CID 135987201) is 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid.
What is the SMILES notation for 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid?
The canonical SMILES for 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid is [H]/N=N/c1c(S(=O)(=O)O)cc2cc(C)c(/N=N/C)c(N)c2c1O.
What is the InChIKey of 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid?
The InChIKey is TWMSBGMFTDXXLH-YXLFCKQPSA-N. The full InChI is InChI=1S/C12H13N5O4S/c1-5-3-6-4-7(22(19,20)21)11(16-14)12(18)8(6)9(13)10(5)17-15-2/h3-4,14,18H,13H2,1-2H3,(H,19,20,21)/b16-14+,17-15+.
What are the key properties of 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid?
5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid has a molecular weight of 323.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid is sourced from PubChem (CID 135987201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).