4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one

C17H12FN3O — CID 57311158

IUPAC4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one
SMILESO=C1C(c2ccccc2F)=NC2=CN=C3CC=CC=CC3N12
InChIInChI=1S/C17H12FN3O/c18-12-7-5-4-6-11(12)16-17(22)21-14-9-3-1-2-8-13(14)19-10-15(21)20-16/h1-7,9-10,14H,8H2
InChIKeyBQCHDXDMFRQESW-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.60
Rot. Bonds1

About 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one

4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one (PubChem CID 57311158) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one
PubChem CID57311158
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one
SMILESO=C1C(c2ccccc2F)=NC2=CN=C3CC=CC=CC3N12
InChIInChI=1S/C17H12FN3O/c18-12-7-5-4-6-11(12)16-17(22)21-14-9-3-1-2-8-13(14)19-10-15(21)20-16/h1-7,9-10,14H,8H2
InChIKeyBQCHDXDMFRQESW-UHFFFAOYSA-N
XLogP2.60
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one?
The IUPAC name of 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one (CID 57311158) is 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one?
The canonical SMILES for 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one is O=C1C(c2ccccc2F)=NC2=CN=C3CC=CC=CC3N12.
What is the InChIKey of 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one?
The InChIKey is BQCHDXDMFRQESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-12-7-5-4-6-11(12)16-17(22)21-14-9-3-1-2-8-13(14)19-10-15(21)20-16/h1-7,9-10,14H,8H2.
What are the key properties of 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one?
4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one has a molecular weight of 293.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one is sourced from PubChem (CID 57311158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).