9-(benzotriazol-1-yl)-10-methyl-9H-acridine

C20H16N4 — CID 3537759

IUPAC9-(benzotriazol-1-yl)-10-methyl-9H-acridine
SMILESCN1c2ccccc2C(n2nnc3ccccc32)c2ccccc21
InChIInChI=1S/C20H16N4/c1-23-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)23)24-19-13-7-4-10-16(19)21-22-24/h2-13,20H,1H3
InChIKeyFMPYUZLCKYTCDZ-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.15
Rot. Bonds1

About 9-(benzotriazol-1-yl)-10-methyl-9H-acridine

9-(benzotriazol-1-yl)-10-methyl-9H-acridine (PubChem CID 3537759) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 9-(benzotriazol-1-yl)-10-methyl-9H-acridine.

Molecular Properties

Compound Name9-(benzotriazol-1-yl)-10-methyl-9H-acridine
PubChem CID3537759
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name9-(benzotriazol-1-yl)-10-methyl-9H-acridine
SMILESCN1c2ccccc2C(n2nnc3ccccc32)c2ccccc21
InChIInChI=1S/C20H16N4/c1-23-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)23)24-19-13-7-4-10-16(19)21-22-24/h2-13,20H,1H3
InChIKeyFMPYUZLCKYTCDZ-UHFFFAOYSA-N
XLogP4.15
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(benzotriazol-1-yl)-10-methyl-9H-acridine 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 9-(benzotriazol-1-yl)-10-methyl-9H-acridine?
The IUPAC name of 9-(benzotriazol-1-yl)-10-methyl-9H-acridine (CID 3537759) is 9-(benzotriazol-1-yl)-10-methyl-9H-acridine.
What is the SMILES notation for 9-(benzotriazol-1-yl)-10-methyl-9H-acridine?
The canonical SMILES for 9-(benzotriazol-1-yl)-10-methyl-9H-acridine is CN1c2ccccc2C(n2nnc3ccccc32)c2ccccc21.
What is the InChIKey of 9-(benzotriazol-1-yl)-10-methyl-9H-acridine?
The InChIKey is FMPYUZLCKYTCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-23-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)23)24-19-13-7-4-10-16(19)21-22-24/h2-13,20H,1H3.
What are the key properties of 9-(benzotriazol-1-yl)-10-methyl-9H-acridine?
9-(benzotriazol-1-yl)-10-methyl-9H-acridine has a molecular weight of 312.38 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzotriazol-1-yl)-10-methyl-9H-acridine is sourced from PubChem (CID 3537759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).