11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

C15H10N4O — CID 72725107

IUPAC11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
SMILESNc1ncnc2c1oc1cc(-c3ccccc3)cnc12
InChIInChI=1S/C15H10N4O/c16-15-14-13(18-8-19-15)12-11(20-14)6-10(7-17-12)9-4-2-1-3-5-9/h1-8H,(H2,16,18,19)
InChIKeyAXBFBUSUZLPFJR-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.02
Rot. Bonds1

About 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine (PubChem CID 72725107) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine.

Molecular Properties

Compound Name11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
PubChem CID72725107
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
SMILESNc1ncnc2c1oc1cc(-c3ccccc3)cnc12
InChIInChI=1S/C15H10N4O/c16-15-14-13(18-8-19-15)12-11(20-14)6-10(7-17-12)9-4-2-1-3-5-9/h1-8H,(H2,16,18,19)
InChIKeyAXBFBUSUZLPFJR-UHFFFAOYSA-N
XLogP3.02
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine?
The IUPAC name of 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine (CID 72725107) is 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine.
What is the SMILES notation for 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine?
The canonical SMILES for 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine is Nc1ncnc2c1oc1cc(-c3ccccc3)cnc12.
What is the InChIKey of 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine?
The InChIKey is AXBFBUSUZLPFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c16-15-14-13(18-8-19-15)12-11(20-14)6-10(7-17-12)9-4-2-1-3-5-9/h1-8H,(H2,16,18,19).
What are the key properties of 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine?
11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine has a molecular weight of 262.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine is sourced from PubChem (CID 72725107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).