5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene

C13H12N2 — CID 54252407

IUPAC5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene
SMILESC1=CN=C2C=CCCC23C=CC=NC3=C1
InChIInChI=1S/C13H12N2/c1-2-7-13-8-4-10-15-12(13)6-3-9-14-11(13)5-1/h1,3-6,8-10H,2,7H2
InChIKeyQXRNFSRWVIMJGP-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.82
Rot. Bonds

About 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene

5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene (PubChem CID 54252407) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene.

Molecular Properties

Compound Name5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene
PubChem CID54252407
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene
SMILESC1=CN=C2C=CCCC23C=CC=NC3=C1
InChIInChI=1S/C13H12N2/c1-2-7-13-8-4-10-15-12(13)6-3-9-14-11(13)5-1/h1,3-6,8-10H,2,7H2
InChIKeyQXRNFSRWVIMJGP-UHFFFAOYSA-N
XLogP2.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4,12-Diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,10,12-hexaene
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Frequently Asked Questions

What is the IUPAC name of 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene?
The IUPAC name of 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene (CID 54252407) is 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene.
What is the SMILES notation for 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene?
The canonical SMILES for 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene is C1=CN=C2C=CCCC23C=CC=NC3=C1.
What is the InChIKey of 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene?
The InChIKey is QXRNFSRWVIMJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-7-13-8-4-10-15-12(13)6-3-9-14-11(13)5-1/h1,3-6,8-10H,2,7H2.
What are the key properties of 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene?
5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene has a molecular weight of 196.25 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene is sourced from PubChem (CID 54252407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).