2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene

C10H8N2 — CID 151620754

IUPAC2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene
SMILESC1=CC=C2N=NC=CC=C2C=C1
InChIInChI=1S/C10H8N2/c1-2-5-9-6-4-8-11-12-10(9)7-3-1/h1-8H
InChIKeyQOLPMKTWRZLVQM-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.90
Rot. Bonds

About 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene

2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene (PubChem CID 151620754) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene
PubChem CID151620754
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene
SMILESC1=CC=C2N=NC=CC=C2C=C1
InChIInChI=1S/C10H8N2/c1-2-5-9-6-4-8-11-12-10(9)7-3-1/h1-8H
InChIKeyQOLPMKTWRZLVQM-UHFFFAOYSA-N
XLogP2.90
TPSA24.72 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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene (CID 151620754) is 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene is C1=CC=C2N=NC=CC=C2C=C1.
What is the InChIKey of 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene?
The InChIKey is QOLPMKTWRZLVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-5-9-6-4-8-11-12-10(9)7-3-1/h1-8H.
What are the key properties of 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene?
2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene has a molecular weight of 156.19 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diazabicyclo[5.5.0]dodeca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 151620754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).