5,6-diaminobenzene-1,2,3,4-tetrol

C6H8N2O4 — CID 18003672

IUPAC5,6-diaminobenzene-1,2,3,4-tetrol
SMILESNc1c(N)c(O)c(O)c(O)c1O
InChIInChI=1S/C6H8N2O4/c7-1-2(8)4(10)6(12)5(11)3(1)9/h9-12H,7-8H2
InChIKeyUWPUOPSZGCYXNJ-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.33
Rot. Bonds

About 5,6-diaminobenzene-1,2,3,4-tetrol

5,6-diaminobenzene-1,2,3,4-tetrol (PubChem CID 18003672) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 5,6-diaminobenzene-1,2,3,4-tetrol.

Molecular Properties

Compound Name5,6-diaminobenzene-1,2,3,4-tetrol
PubChem CID18003672
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name5,6-diaminobenzene-1,2,3,4-tetrol
SMILESNc1c(N)c(O)c(O)c(O)c1O
InChIInChI=1S/C6H8N2O4/c7-1-2(8)4(10)6(12)5(11)3(1)9/h9-12H,7-8H2
InChIKeyUWPUOPSZGCYXNJ-UHFFFAOYSA-N
XLogP-0.33
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diaminobenzene-1,2,3,4-tetrol?
The IUPAC name of 5,6-diaminobenzene-1,2,3,4-tetrol (CID 18003672) is 5,6-diaminobenzene-1,2,3,4-tetrol.
What is the SMILES notation for 5,6-diaminobenzene-1,2,3,4-tetrol?
The canonical SMILES for 5,6-diaminobenzene-1,2,3,4-tetrol is Nc1c(N)c(O)c(O)c(O)c1O.
What is the InChIKey of 5,6-diaminobenzene-1,2,3,4-tetrol?
The InChIKey is UWPUOPSZGCYXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c7-1-2(8)4(10)6(12)5(11)3(1)9/h9-12H,7-8H2.
What are the key properties of 5,6-diaminobenzene-1,2,3,4-tetrol?
5,6-diaminobenzene-1,2,3,4-tetrol has a molecular weight of 172.14 g/mol, XLogP of -0.33, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diaminobenzene-1,2,3,4-tetrol is sourced from PubChem (CID 18003672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).