8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one

C23H15N3O2 — CID 53495489

IUPAC8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
SMILESO=c1ccc2nc(-c3ccccc3)nn(-c3ccccc3)c-2c1-c1ccco1
InChIInChI=1S/C23H15N3O2/c27-19-14-13-18-22(21(19)20-12-7-15-28-20)26(17-10-5-2-6-11-17)25-23(24-18)16-8-3-1-4-9-16/h1-15H
InChIKeyWMLODSPOUMILQG-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.66
Rot. Bonds3

About 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one

8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one (PubChem CID 53495489) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one.

Molecular Properties

Compound Name8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
PubChem CID53495489
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
SMILESO=c1ccc2nc(-c3ccccc3)nn(-c3ccccc3)c-2c1-c1ccco1
InChIInChI=1S/C23H15N3O2/c27-19-14-13-18-22(21(19)20-12-7-15-28-20)26(17-10-5-2-6-11-17)25-23(24-18)16-8-3-1-4-9-16/h1-15H
InChIKeyWMLODSPOUMILQG-UHFFFAOYSA-N
XLogP4.66
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The IUPAC name of 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one (CID 53495489) is 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one.
What is the SMILES notation for 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The canonical SMILES for 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one is O=c1ccc2nc(-c3ccccc3)nn(-c3ccccc3)c-2c1-c1ccco1.
What is the InChIKey of 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The InChIKey is WMLODSPOUMILQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2/c27-19-14-13-18-22(21(19)20-12-7-15-28-20)26(17-10-5-2-6-11-17)25-23(24-18)16-8-3-1-4-9-16/h1-15H.
What are the key properties of 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one?
8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one has a molecular weight of 365.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one is sourced from PubChem (CID 53495489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).