2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene

C10H6N2 — CID 141055029

IUPAC2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene
SMILESC1=Cc2cc3c(nc2=C1)N=CC=3
InChIInChI=1S/C10H6N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h1-6H
InChIKeyRIYQTRIZDOPNHH-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.39
Rot. Bonds

About 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene

2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene (PubChem CID 141055029) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene
PubChem CID141055029
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Name2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene
SMILESC1=Cc2cc3c(nc2=C1)N=CC=3
InChIInChI=1S/C10H6N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h1-6H
InChIKeyRIYQTRIZDOPNHH-UHFFFAOYSA-N
XLogP0.39
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene (CID 141055029) is 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene is C1=Cc2cc3c(nc2=C1)N=CC=3.
What is the InChIKey of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene?
The InChIKey is RIYQTRIZDOPNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2/c1-2-7-6-8-4-5-11-10(8)12-9(7)3-1/h1-6H.
What are the key properties of 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene?
2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene has a molecular weight of 154.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 141055029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).