7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride

C12H11ClN2 — CID 54600673

IUPAC7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride
SMILESC1=CC2=C3C=CC=CN3C=CN2C=C1.Cl
InChIInChI=1S/C12H10N2.ClH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;/h1-10H;1H
InChIKeyPHJUAKPDXVJMLD-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.88
Rot. Bonds

About 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride

7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride (PubChem CID 54600673) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride.

Molecular Properties

Compound Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride
PubChem CID54600673
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride
SMILESC1=CC2=C3C=CC=CN3C=CN2C=C1.Cl
InChIInChI=1S/C12H10N2.ClH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;/h1-10H;1H
InChIKeyPHJUAKPDXVJMLD-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride?
The IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride (CID 54600673) is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride.
What is the SMILES notation for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride?
The canonical SMILES for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride is C1=CC2=C3C=CC=CN3C=CN2C=C1.Cl.
What is the InChIKey of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride?
The InChIKey is PHJUAKPDXVJMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.ClH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;/h1-10H;1H.
What are the key properties of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride?
7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene;hydrochloride is sourced from PubChem (CID 54600673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).