2-(9H-xanthen-9-yl)benzotriazole

C19H13N3O — CID 3821941

IUPAC2-(9H-xanthen-9-yl)benzotriazole
SMILESc1ccc2c(c1)Oc1ccccc1C2n1nc2ccccc2n1
InChIInChI=1S/C19H13N3O/c1-5-11-17-13(7-1)19(14-8-2-6-12-18(14)23-17)22-20-15-9-3-4-10-16(15)21-22/h1-12,19H
InChIKeyOAJAXXCAIKYZPM-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.17
Rot. Bonds1

About 2-(9H-xanthen-9-yl)benzotriazole

2-(9H-xanthen-9-yl)benzotriazole (PubChem CID 3821941) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(9H-xanthen-9-yl)benzotriazole.

Molecular Properties

Compound Name2-(9H-xanthen-9-yl)benzotriazole
PubChem CID3821941
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name2-(9H-xanthen-9-yl)benzotriazole
SMILESc1ccc2c(c1)Oc1ccccc1C2n1nc2ccccc2n1
InChIInChI=1S/C19H13N3O/c1-5-11-17-13(7-1)19(14-8-2-6-12-18(14)23-17)22-20-15-9-3-4-10-16(15)21-22/h1-12,19H
InChIKeyOAJAXXCAIKYZPM-UHFFFAOYSA-N
XLogP4.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9H-xanthen-9-yl)benzotriazole 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 2-(9H-xanthen-9-yl)benzotriazole?
The IUPAC name of 2-(9H-xanthen-9-yl)benzotriazole (CID 3821941) is 2-(9H-xanthen-9-yl)benzotriazole.
What is the SMILES notation for 2-(9H-xanthen-9-yl)benzotriazole?
The canonical SMILES for 2-(9H-xanthen-9-yl)benzotriazole is c1ccc2c(c1)Oc1ccccc1C2n1nc2ccccc2n1.
What is the InChIKey of 2-(9H-xanthen-9-yl)benzotriazole?
The InChIKey is OAJAXXCAIKYZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-5-11-17-13(7-1)19(14-8-2-6-12-18(14)23-17)22-20-15-9-3-4-10-16(15)21-22/h1-12,19H.
What are the key properties of 2-(9H-xanthen-9-yl)benzotriazole?
2-(9H-xanthen-9-yl)benzotriazole has a molecular weight of 299.33 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-xanthen-9-yl)benzotriazole is sourced from PubChem (CID 3821941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).