1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene

C10H8N2 — CID 175852242

IUPAC1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene
SMILESC1=Cc2cc3n(c2=C1)CC=NC=3
InChIInChI=1S/C10H8N2/c1-2-8-6-9-7-11-4-5-12(9)10(8)3-1/h1-4,6-7H,5H2
InChIKeyAQDIAIYPKJODQY-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.12
Rot. Bonds

About 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene

1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene (PubChem CID 175852242) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene
PubChem CID175852242
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene
SMILESC1=Cc2cc3n(c2=C1)CC=NC=3
InChIInChI=1S/C10H8N2/c1-2-8-6-9-7-11-4-5-12(9)10(8)3-1/h1-4,6-7H,5H2
InChIKeyAQDIAIYPKJODQY-UHFFFAOYSA-N
XLogP0.12
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene?
The IUPAC name of 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene (CID 175852242) is 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene.
What is the SMILES notation for 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene?
The canonical SMILES for 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene is C1=Cc2cc3n(c2=C1)CC=NC=3.
What is the InChIKey of 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene?
The InChIKey is AQDIAIYPKJODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-8-6-9-7-11-4-5-12(9)10(8)3-1/h1-4,6-7H,5H2.
What are the key properties of 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene?
1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene has a molecular weight of 156.19 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazatricyclo[6.4.0.02,6]dodeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 175852242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).