1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene

C8H6N2 — CID 144505406

IUPAC1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene
SMILESc1ccc2c(c1)c1nn2C1
InChIInChI=1S/C8H6N2/c1-2-4-8-6(3-1)7-5-10(8)9-7/h1-4H,5H2
InChIKeyJUIOYPIMRQYBJD-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.40
Rot. Bonds

About 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene

1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene (PubChem CID 144505406) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene.

Molecular Properties

Compound Name1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene
PubChem CID144505406
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene
SMILESc1ccc2c(c1)c1nn2C1
InChIInChI=1S/C8H6N2/c1-2-4-8-6(3-1)7-5-10(8)9-7/h1-4H,5H2
InChIKeyJUIOYPIMRQYBJD-UHFFFAOYSA-N
XLogP1.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene?
The IUPAC name of 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene (CID 144505406) is 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene.
What is the SMILES notation for 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene?
The canonical SMILES for 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene is c1ccc2c(c1)c1nn2C1.
What is the InChIKey of 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene?
The InChIKey is JUIOYPIMRQYBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-8-6(3-1)7-5-10(8)9-7/h1-4H,5H2.
What are the key properties of 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene?
1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene has a molecular weight of 130.15 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diazatricyclo[6.1.1.02,7]deca-2,4,6,8-tetraene is sourced from PubChem (CID 144505406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).