1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene

C10H10N2 — CID 57357847

IUPAC1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
SMILESc1cc2n(c1)Cc1cccn1C2
InChIInChI=1S/C10H10N2/c1-3-9-7-12-6-2-4-10(12)8-11(9)5-1/h1-6H,7-8H2
InChIKeyNEGAAFKHJHOUOG-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.70
Rot. Bonds

About 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene

1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene (PubChem CID 57357847) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene.

Molecular Properties

Compound Name1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
PubChem CID57357847
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
SMILESc1cc2n(c1)Cc1cccn1C2
InChIInChI=1S/C10H10N2/c1-3-9-7-12-6-2-4-10(12)8-11(9)5-1/h1-6H,7-8H2
InChIKeyNEGAAFKHJHOUOG-UHFFFAOYSA-N
XLogP1.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The IUPAC name of 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene (CID 57357847) is 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene.
What is the SMILES notation for 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The canonical SMILES for 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene is c1cc2n(c1)Cc1cccn1C2.
What is the InChIKey of 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The InChIKey is NEGAAFKHJHOUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-3-9-7-12-6-2-4-10(12)8-11(9)5-1/h1-6H,7-8H2.
What are the key properties of 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene has a molecular weight of 158.20 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene is sourced from PubChem (CID 57357847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).