2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene

C9H8N2 — CID 45088024

IUPAC2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene
SMILESC1=CN2C3=CC=C(C3)C2=NC1
InChIInChI=1S/C9H8N2/c1-4-10-9-7-2-3-8(6-7)11(9)5-1/h1-3,5H,4,6H2
InChIKeyAIWUGKLTYFFASJ-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.44
Rot. Bonds

About 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene

2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene (PubChem CID 45088024) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene.

Molecular Properties

Compound Name2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene
PubChem CID45088024
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene
SMILESC1=CN2C3=CC=C(C3)C2=NC1
InChIInChI=1S/C9H8N2/c1-4-10-9-7-2-3-8(6-7)11(9)5-1/h1-3,5H,4,6H2
InChIKeyAIWUGKLTYFFASJ-UHFFFAOYSA-N
XLogP1.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene?
The IUPAC name of 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene (CID 45088024) is 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene.
What is the SMILES notation for 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene?
The canonical SMILES for 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene is C1=CN2C3=CC=C(C3)C2=NC1.
What is the InChIKey of 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene?
The InChIKey is AIWUGKLTYFFASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-4-10-9-7-2-3-8(6-7)11(9)5-1/h1-3,5H,4,6H2.
What are the key properties of 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene?
2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene has a molecular weight of 144.18 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazatricyclo[6.2.1.02,7]undeca-1(10),3,6,8-tetraene is sourced from PubChem (CID 45088024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).