5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C10H12N2 — CID 168862556

IUPAC5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESc1cc2c(cn1)CC1CCC2N1
InChIInChI=1S/C10H12N2/c1-2-10-9-3-4-11-6-7(9)5-8(1)12-10/h3-4,6,8,10,12H,1-2,5H2
InChIKeyUSEABLYZYCYANQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.43
Rot. Bonds

About 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 168862556) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID168862556
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESc1cc2c(cn1)CC1CCC2N1
InChIInChI=1S/C10H12N2/c1-2-10-9-3-4-11-6-7(9)5-8(1)12-10/h3-4,6,8,10,12H,1-2,5H2
InChIKeyUSEABLYZYCYANQ-UHFFFAOYSA-N
XLogP1.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 168862556) is 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is c1cc2c(cn1)CC1CCC2N1.
What is the InChIKey of 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is USEABLYZYCYANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-10-9-3-4-11-6-7(9)5-8(1)12-10/h3-4,6,8,10,12H,1-2,5H2.
What are the key properties of 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 160.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 168862556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).