10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene

C12H8N2 — CID 166624694

IUPAC10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene
SMILESC1=Nc2cccc3cccc(c23)N=C1
InChIInChI=1S/C12H8N2/c1-3-9-4-2-6-11-12(9)10(5-1)13-7-8-14-11/h1-8H
InChIKeyXDBLQPQRKLNFCJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.26
Rot. Bonds

About 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene

10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene (PubChem CID 166624694) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene.

Molecular Properties

Compound Name10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene
PubChem CID166624694
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene
SMILESC1=Nc2cccc3cccc(c23)N=C1
InChIInChI=1S/C12H8N2/c1-3-9-4-2-6-11-12(9)10(5-1)13-7-8-14-11/h1-8H
InChIKeyXDBLQPQRKLNFCJ-UHFFFAOYSA-N
XLogP3.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene?
The IUPAC name of 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene (CID 166624694) is 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene.
What is the SMILES notation for 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene?
The canonical SMILES for 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene is C1=Nc2cccc3cccc(c23)N=C1.
What is the InChIKey of 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene?
The InChIKey is XDBLQPQRKLNFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-3-9-4-2-6-11-12(9)10(5-1)13-7-8-14-11/h1-8H.
What are the key properties of 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene?
10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene has a molecular weight of 180.21 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,10,12-heptaene is sourced from PubChem (CID 166624694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).