2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one

C16H13N3O — CID 14423224

IUPAC2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one
SMILESO=c1c2c(n(-c3ccccc3)c3nccnc13)CCC2
InChIInChI=1S/C16H13N3O/c20-15-12-7-4-8-13(12)19(11-5-2-1-3-6-11)16-14(15)17-9-10-18-16/h1-3,5-6,9-10H,4,7-8H2
InChIKeyQPBWEBKPRCFIDP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.27
Rot. Bonds1

About 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one

2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one (PubChem CID 14423224) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one.

Molecular Properties

Compound Name2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one
PubChem CID14423224
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one
SMILESO=c1c2c(n(-c3ccccc3)c3nccnc13)CCC2
InChIInChI=1S/C16H13N3O/c20-15-12-7-4-8-13(12)19(11-5-2-1-3-6-11)16-14(15)17-9-10-18-16/h1-3,5-6,9-10H,4,7-8H2
InChIKeyQPBWEBKPRCFIDP-UHFFFAOYSA-N
XLogP2.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one?
The IUPAC name of 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one (CID 14423224) is 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one.
What is the SMILES notation for 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one?
The canonical SMILES for 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one is O=c1c2c(n(-c3ccccc3)c3nccnc13)CCC2.
What is the InChIKey of 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one?
The InChIKey is QPBWEBKPRCFIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-15-12-7-4-8-13(12)19(11-5-2-1-3-6-11)16-14(15)17-9-10-18-16/h1-3,5-6,9-10H,4,7-8H2.
What are the key properties of 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one?
2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one has a molecular weight of 263.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),9,11-tetraen-8-one is sourced from PubChem (CID 14423224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).