5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine

C14H10N6 — CID 56763446

IUPAC5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine
SMILESNc1nccc2c1nnc1c(-c3ccccc3)cnn12
InChIInChI=1S/C14H10N6/c15-13-12-11(6-7-16-13)20-14(19-18-12)10(8-17-20)9-4-2-1-3-5-9/h1-8H,(H2,15,16)
InChIKeyUHHSTMMQXIFEKD-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.92
Rot. Bonds1

About 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine

5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine (PubChem CID 56763446) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine.

Molecular Properties

Compound Name5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine
PubChem CID56763446
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine
SMILESNc1nccc2c1nnc1c(-c3ccccc3)cnn12
InChIInChI=1S/C14H10N6/c15-13-12-11(6-7-16-13)20-14(19-18-12)10(8-17-20)9-4-2-1-3-5-9/h1-8H,(H2,15,16)
InChIKeyUHHSTMMQXIFEKD-UHFFFAOYSA-N
XLogP1.92
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine?
The IUPAC name of 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine (CID 56763446) is 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine.
What is the SMILES notation for 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine?
The canonical SMILES for 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine is Nc1nccc2c1nnc1c(-c3ccccc3)cnn12.
What is the InChIKey of 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine?
The InChIKey is UHHSTMMQXIFEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c15-13-12-11(6-7-16-13)20-14(19-18-12)10(8-17-20)9-4-2-1-3-5-9/h1-8H,(H2,15,16).
What are the key properties of 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine?
5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine has a molecular weight of 262.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine is sourced from PubChem (CID 56763446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).