2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol

C10H8N2O2 — CID 135469292

IUPAC2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol
SMILESOc1cc2c3c(c1O)N=CC=3CCN=2
InChIInChI=1S/C10H8N2O2/c13-7-3-6-8-5(1-2-11-6)4-12-9(8)10(7)14/h3-4,13-14H,1-2H2
InChIKeyLQWJMBUZIZJYQC-UHFFFAOYSA-N
MW188.19 g/mol
LogP-0.01
Rot. Bonds

About 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol

2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol (PubChem CID 135469292) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol.

Molecular Properties

Compound Name2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol
PubChem CID135469292
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol
SMILESOc1cc2c3c(c1O)N=CC=3CCN=2
InChIInChI=1S/C10H8N2O2/c13-7-3-6-8-5(1-2-11-6)4-12-9(8)10(7)14/h3-4,13-14H,1-2H2
InChIKeyLQWJMBUZIZJYQC-UHFFFAOYSA-N
XLogP-0.01
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol?
The IUPAC name of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol (CID 135469292) is 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol.
What is the SMILES notation for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol?
The canonical SMILES for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol is Oc1cc2c3c(c1O)N=CC=3CCN=2.
What is the InChIKey of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol?
The InChIKey is LQWJMBUZIZJYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-7-3-6-8-5(1-2-11-6)4-12-9(8)10(7)14/h3-4,13-14H,1-2H2.
What are the key properties of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol?
2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol has a molecular weight of 188.19 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol is sourced from PubChem (CID 135469292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).