11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one

C15H9N3O — CID 68756038

IUPAC11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one
SMILESO=C1Cc2c(ccc3ccccc23)-c2cnnnc21
InChIInChI=1S/C15H9N3O/c19-14-7-12-10-4-2-1-3-9(10)5-6-11(12)13-8-16-18-17-15(13)14/h1-6,8H,7H2
InChIKeyNQHJXHUULLFGNK-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.43
Rot. Bonds

About 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one

11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one (PubChem CID 68756038) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one.

Molecular Properties

Compound Name11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one
PubChem CID68756038
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one
SMILESO=C1Cc2c(ccc3ccccc23)-c2cnnnc21
InChIInChI=1S/C15H9N3O/c19-14-7-12-10-4-2-1-3-9(10)5-6-11(12)13-8-16-18-17-15(13)14/h1-6,8H,7H2
InChIKeyNQHJXHUULLFGNK-UHFFFAOYSA-N
XLogP2.43
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one 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 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one?
The IUPAC name of 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one (CID 68756038) is 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one.
What is the SMILES notation for 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one?
The canonical SMILES for 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one is O=C1Cc2c(ccc3ccccc23)-c2cnnnc21.
What is the InChIKey of 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one?
The InChIKey is NQHJXHUULLFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c19-14-7-12-10-4-2-1-3-9(10)5-6-11(12)13-8-16-18-17-15(13)14/h1-6,8H,7H2.
What are the key properties of 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one?
11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one has a molecular weight of 247.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one is sourced from PubChem (CID 68756038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).