1,4-diaminonaphthalene-2,3-diol

C10H10N2O2 — CID 82254150

IUPAC1,4-diaminonaphthalene-2,3-diol
SMILESNc1c(O)c(O)c(N)c2ccccc12
InChIInChI=1S/C10H10N2O2/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,13-14H,11-12H2
InChIKeyVLAVJAMNZQLIRP-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.42
Rot. Bonds

About 1,4-diaminonaphthalene-2,3-diol

1,4-diaminonaphthalene-2,3-diol (PubChem CID 82254150) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1,4-diaminonaphthalene-2,3-diol.

Molecular Properties

Compound Name1,4-diaminonaphthalene-2,3-diol
PubChem CID82254150
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1,4-diaminonaphthalene-2,3-diol
SMILESNc1c(O)c(O)c(N)c2ccccc12
InChIInChI=1S/C10H10N2O2/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,13-14H,11-12H2
InChIKeyVLAVJAMNZQLIRP-UHFFFAOYSA-N
XLogP1.42
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1,4-diaminonaphthalene-2,3-diol 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

4-amino-3-hydroxynaphthalene-1,2-dicarboxylic acid
CID 139899447
6-aminobenzo[a]anthracen-5-ol
CID 131861794
2-aminonaphthalene-1,3-diol
CID 118669960
tetracyclo[6.6.2.02,7.09,14]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-15,16-diol
CID 123414874
3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
CID 101198518
3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
CID 59553034
3-aminoanthracene-2,9,10-triol
CID 90904436
3-amino-1,4-dihydroxynaphthalene-2-sulfinate
CID 148794117
6-aminobenzene-1,2,3,4,5-pentol
CID 130443728
CID 131863122
CID 131863122
anthracene-2,9,10-triamine
CID 46872427
2-aminonaphthalen-1-ol;ethane
CID 143085377

Frequently Asked Questions

What is the IUPAC name of 1,4-diaminonaphthalene-2,3-diol?
The IUPAC name of 1,4-diaminonaphthalene-2,3-diol (CID 82254150) is 1,4-diaminonaphthalene-2,3-diol.
What is the SMILES notation for 1,4-diaminonaphthalene-2,3-diol?
The canonical SMILES for 1,4-diaminonaphthalene-2,3-diol is Nc1c(O)c(O)c(N)c2ccccc12.
What is the InChIKey of 1,4-diaminonaphthalene-2,3-diol?
The InChIKey is VLAVJAMNZQLIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,13-14H,11-12H2.
What are the key properties of 1,4-diaminonaphthalene-2,3-diol?
1,4-diaminonaphthalene-2,3-diol has a molecular weight of 190.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diaminonaphthalene-2,3-diol is sourced from PubChem (CID 82254150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).