5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene

C18H19N3 — CID 57327899

IUPAC5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene
SMILESc1ccc(-c2cnn3c4c(cnc23)CCCCCC4)cc1
InChIInChI=1S/C18H19N3/c1-2-7-11-17-15(10-4-1)12-19-18-16(13-20-21(17)18)14-8-5-3-6-9-14/h3,5-6,8-9,12-13H,1-2,4,7,10-11H2
InChIKeyKZKYFNFWHDMEHA-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.06
Rot. Bonds1

About 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene

5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene (PubChem CID 57327899) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene
PubChem CID57327899
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene
SMILESc1ccc(-c2cnn3c4c(cnc23)CCCCCC4)cc1
InChIInChI=1S/C18H19N3/c1-2-7-11-17-15(10-4-1)12-19-18-16(13-20-21(17)18)14-8-5-3-6-9-14/h3,5-6,8-9,12-13H,1-2,4,7,10-11H2
InChIKeyKZKYFNFWHDMEHA-UHFFFAOYSA-N
XLogP4.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene?
The IUPAC name of 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene (CID 57327899) is 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene.
What is the SMILES notation for 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene?
The canonical SMILES for 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene is c1ccc(-c2cnn3c4c(cnc23)CCCCCC4)cc1.
What is the InChIKey of 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene?
The InChIKey is KZKYFNFWHDMEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-7-11-17-15(10-4-1)12-19-18-16(13-20-21(17)18)14-8-5-3-6-9-14/h3,5-6,8-9,12-13H,1-2,4,7,10-11H2.
What are the key properties of 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene?
5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene has a molecular weight of 277.37 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 57327899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).