4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid

C17H17N3O5S — CID 160579096

IUPAC4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid
SMILESCOC1C=C(N)C=CC1=[N+]=[N-].O=S(=O)(O)c1cccc2cc(O)ccc12
InChIInChI=1S/C10H8O4S.C7H9N3O/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14;1-11-7-4-5(8)2-3-6(7)10-9/h1-6,11H,(H,12,13,14);2-4,7H,8H2,1H3
InChIKeyRBNOGVSCEAVCAE-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.88
Rot. Bonds2

About 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid

4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid (PubChem CID 160579096) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid
PubChem CID160579096
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid
SMILESCOC1C=C(N)C=CC1=[N+]=[N-].O=S(=O)(O)c1cccc2cc(O)ccc12
InChIInChI=1S/C10H8O4S.C7H9N3O/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14;1-11-7-4-5(8)2-3-6(7)10-9/h1-6,11H,(H,12,13,14);2-4,7H,8H2,1H3
InChIKeyRBNOGVSCEAVCAE-UHFFFAOYSA-N
XLogP1.88
TPSA146.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-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

methanamine;naphthalene-1-sulfonic acid
CID 174421353
5-sulfonaphthalene-2-diazonium
CID 71444489
2-methylaniline;naphthalene-1-sulfonic acid
CID 87775732
naphthalene-1-sulfonic acid
CID 158712346
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid
CID 175242674

Frequently Asked Questions

What is the IUPAC name of 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid (CID 160579096) is 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid is COC1C=C(N)C=CC1=[N+]=[N-].O=S(=O)(O)c1cccc2cc(O)ccc12.
What is the InChIKey of 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid?
The InChIKey is RBNOGVSCEAVCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S.C7H9N3O/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14;1-11-7-4-5(8)2-3-6(7)10-9/h1-6,11H,(H,12,13,14);2-4,7H,8H2,1H3.
What are the key properties of 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid?
4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid has a molecular weight of 375.41 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-3-methoxycyclohexa-1,5-dien-1-amine;6-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 160579096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).