5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid

C12H13N3O7S2 — CID 135985597

IUPAC5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid
SMILESC/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(C)c(O)c2c1N
InChIInChI=1S/C12H13N3O7S2/c1-5-7(23(17,18)19)3-6-4-8(24(20,21)22)11(15-14-2)10(13)9(6)12(5)16/h3-4,16H,13H2,1-2H3,(H,17,18,19)(H,20,21,22)/b15-14+
InChIKeyMZWCSKHBSPHZRG-CCEZHUSRSA-N
MW375.38 g/mol
LogP1.64
Rot. Bonds3

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

5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid (PubChem CID 135985597) has the molecular formula C12H13N3O7S2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid
PubChem CID135985597
Molecular FormulaC12H13N3O7S2
Molecular Weight375.38 g/mol
Exact Mass375.02
IUPAC Name5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid
SMILESC/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(C)c(O)c2c1N
InChIInChI=1S/C12H13N3O7S2/c1-5-7(23(17,18)19)3-6-4-8(24(20,21)22)11(15-14-2)10(13)9(6)12(5)16/h3-4,16H,13H2,1-2H3,(H,17,18,19)(H,20,21,22)/b15-14+
InChIKeyMZWCSKHBSPHZRG-CCEZHUSRSA-N
XLogP1.64
TPSA179.71 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.64
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

4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid
CID 135987201
4-amino-5-hydroxy-3,6,7-trimethylnaphthalene-2-sulfonic acid
CID 22942497
4-amino-5-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-1,7-disulfonic acid
CID 136621094
4-amino-3,6-bis[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135437239
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-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135723137
3,4,6-triamino-5-hydroxynaphthalene-2,7-disulfonic acid
CID 71374363
4-amino-3,6-bis[[4-[(2,4-diamino-5-sulfophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135848712
5-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 147506897
4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 148671111

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid?
The IUPAC name of 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid (CID 135985597) is 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid.
What is the SMILES notation for 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid?
The canonical SMILES for 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid is C/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(C)c(O)c2c1N.
What is the InChIKey of 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid?
The InChIKey is MZWCSKHBSPHZRG-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H13N3O7S2/c1-5-7(23(17,18)19)3-6-4-8(24(20,21)22)11(15-14-2)10(13)9(6)12(5)16/h3-4,16H,13H2,1-2H3,(H,17,18,19)(H,20,21,22)/b15-14+.
What are the key properties of 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid?
5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid has a molecular weight of 375.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid is sourced from PubChem (CID 135985597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).