5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

C15H10N4 — CID 162666708

IUPAC5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESc1ccc(-c2cnc3c4ncccc4nn3c2)cc1
InChIInChI=1S/C15H10N4/c1-2-5-11(6-3-1)12-9-17-15-14-13(7-4-8-16-14)18-19(15)10-12/h1-10H
InChIKeySZDGQUQEBARNQO-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.94
Rot. Bonds1

About 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (PubChem CID 162666708) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.

Molecular Properties

Compound Name5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
PubChem CID162666708
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESc1ccc(-c2cnc3c4ncccc4nn3c2)cc1
InChIInChI=1S/C15H10N4/c1-2-5-11(6-3-1)12-9-17-15-14-13(7-4-8-16-14)18-19(15)10-12/h1-10H
InChIKeySZDGQUQEBARNQO-UHFFFAOYSA-N
XLogP2.94
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The IUPAC name of 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (CID 162666708) is 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.
What is the SMILES notation for 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The canonical SMILES for 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is c1ccc(-c2cnc3c4ncccc4nn3c2)cc1.
What is the InChIKey of 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The InChIKey is SZDGQUQEBARNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c1-2-5-11(6-3-1)12-9-17-15-14-13(7-4-8-16-14)18-19(15)10-12/h1-10H.
What are the key properties of 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene has a molecular weight of 246.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is sourced from PubChem (CID 162666708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).