1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene

C10H12N2 — CID 118132118

IUPAC1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene
SMILESC1=CCN2C(C1)N=C1C=CCC12
InChIInChI=1S/C10H12N2/c1-2-7-12-9-5-3-4-8(9)11-10(12)6-1/h1-4,9-10H,5-7H2
InChIKeyWUICGRPRRFPJHW-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.36
Rot. Bonds

About 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene

1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene (PubChem CID 118132118) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene.

Molecular Properties

Compound Name1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene
PubChem CID118132118
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene
SMILESC1=CCN2C(C1)N=C1C=CCC12
InChIInChI=1S/C10H12N2/c1-2-7-12-9-5-3-4-8(9)11-10(12)6-1/h1-4,9-10H,5-7H2
InChIKeyWUICGRPRRFPJHW-UHFFFAOYSA-N
XLogP1.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 59165084
CID 59165084
CID 90246614
CID 90246614

Frequently Asked Questions

What is the IUPAC name of 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene?
The IUPAC name of 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene (CID 118132118) is 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene.
What is the SMILES notation for 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene?
The canonical SMILES for 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene is C1=CCN2C(C1)N=C1C=CCC12.
What is the InChIKey of 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene?
The InChIKey is WUICGRPRRFPJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-7-12-9-5-3-4-8(9)11-10(12)6-1/h1-4,9-10H,5-7H2.
What are the key properties of 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene?
1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene has a molecular weight of 160.22 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazatricyclo[6.4.0.02,6]dodeca-4,6,10-triene is sourced from PubChem (CID 118132118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).