7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene

C13H10N2 — CID 135260670

IUPAC7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
SMILESC1=CC2=NC=CC3=CC=NC=CC32C=C1
InChIInChI=1S/C13H10N2/c1-2-6-13-7-10-14-8-4-11(13)5-9-15-12(13)3-1/h1-10H
InChIKeyJNIKBBTUHCBORX-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.59
Rot. Bonds

About 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene

7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene (PubChem CID 135260670) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
PubChem CID135260670
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
SMILESC1=CC2=NC=CC3=CC=NC=CC32C=C1
InChIInChI=1S/C13H10N2/c1-2-6-13-7-10-14-8-4-11(13)5-9-15-12(13)3-1/h1-10H
InChIKeyJNIKBBTUHCBORX-UHFFFAOYSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The IUPAC name of 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene (CID 135260670) is 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene.
What is the SMILES notation for 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The canonical SMILES for 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene is C1=CC2=NC=CC3=CC=NC=CC32C=C1.
What is the InChIKey of 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The InChIKey is JNIKBBTUHCBORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-6-13-7-10-14-8-4-11(13)5-9-15-12(13)3-1/h1-10H.
What are the key properties of 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene has a molecular weight of 194.24 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-diazatricyclo[8.5.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene is sourced from PubChem (CID 135260670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).