8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene

C13H16N2 — CID 21122838

IUPAC8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene
SMILESCC1CN2C=CC=CC2C2C=CC=CN12
InChIInChI=1S/C13H16N2/c1-11-10-14-8-4-2-6-12(14)13-7-3-5-9-15(11)13/h2-9,11-13H,10H2,1H3
InChIKeyVNPAYHSJVLEBNC-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.90
Rot. Bonds

About 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene

8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene (PubChem CID 21122838) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene.

Molecular Properties

Compound Name8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene
PubChem CID21122838
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene
SMILESCC1CN2C=CC=CC2C2C=CC=CN12
InChIInChI=1S/C13H16N2/c1-11-10-14-8-4-2-6-12(14)13-7-3-5-9-15(11)13/h2-9,11-13H,10H2,1H3
InChIKeyVNPAYHSJVLEBNC-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene?
The IUPAC name of 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene (CID 21122838) is 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene.
What is the SMILES notation for 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene?
The canonical SMILES for 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene is CC1CN2C=CC=CC2C2C=CC=CN12.
What is the InChIKey of 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene?
The InChIKey is VNPAYHSJVLEBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11-10-14-8-4-2-6-12(14)13-7-3-5-9-15(11)13/h2-9,11-13H,10H2,1H3.
What are the key properties of 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene?
8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene has a molecular weight of 200.29 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene is sourced from PubChem (CID 21122838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).