2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene

C8H6N2 — CID 45087413

IUPAC2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene
SMILESC1=C2CC(=C1)n1ccnc12
InChIInChI=1S/C8H6N2/c1-2-7-5-6(1)8-9-3-4-10(7)8/h1-4H,5H2
InChIKeyNAFQQFVDGVBGJO-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.52
Rot. Bonds

About 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene

2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene (PubChem CID 45087413) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene
PubChem CID45087413
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene
SMILESC1=C2CC(=C1)n1ccnc12
InChIInChI=1S/C8H6N2/c1-2-7-5-6(1)8-9-3-4-10(7)8/h1-4H,5H2
InChIKeyNAFQQFVDGVBGJO-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene?
The IUPAC name of 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene (CID 45087413) is 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene.
What is the SMILES notation for 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene?
The canonical SMILES for 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene is C1=C2CC(=C1)n1ccnc12.
What is the InChIKey of 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene?
The InChIKey is NAFQQFVDGVBGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-7-5-6(1)8-9-3-4-10(7)8/h1-4H,5H2.
What are the key properties of 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene?
2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene has a molecular weight of 130.15 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene is sourced from PubChem (CID 45087413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).