4-phenyl-1,2,3-benzotriazine

C13H9N3 — CID 902494

IUPAC4-phenyl-1,2,3-benzotriazine
SMILESc1ccc(-c2nnnc3ccccc23)cc1
InChIInChI=1S/C13H9N3/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-16-15-13/h1-9H
InChIKeyYSKOFAYGTBLQTL-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.69
Rot. Bonds1

About 4-phenyl-1,2,3-benzotriazine

4-phenyl-1,2,3-benzotriazine (PubChem CID 902494) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-phenyl-1,2,3-benzotriazine.

Molecular Properties

Compound Name4-phenyl-1,2,3-benzotriazine
PubChem CID902494
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name4-phenyl-1,2,3-benzotriazine
SMILESc1ccc(-c2nnnc3ccccc23)cc1
InChIInChI=1S/C13H9N3/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-16-15-13/h1-9H
InChIKeyYSKOFAYGTBLQTL-UHFFFAOYSA-N
XLogP2.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,3-benzotriazine?
The IUPAC name of 4-phenyl-1,2,3-benzotriazine (CID 902494) is 4-phenyl-1,2,3-benzotriazine.
What is the SMILES notation for 4-phenyl-1,2,3-benzotriazine?
The canonical SMILES for 4-phenyl-1,2,3-benzotriazine is c1ccc(-c2nnnc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-1,2,3-benzotriazine?
The InChIKey is YSKOFAYGTBLQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-16-15-13/h1-9H.
What are the key properties of 4-phenyl-1,2,3-benzotriazine?
4-phenyl-1,2,3-benzotriazine has a molecular weight of 207.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,3-benzotriazine is sourced from PubChem (CID 902494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).