6-chloro-4-phenyl-1,2,3-benzotriazine

C13H8ClN3 — CID 902491

IUPAC6-chloro-4-phenyl-1,2,3-benzotriazine
SMILESClc1ccc2nnnc(-c3ccccc3)c2c1
InChIInChI=1S/C13H8ClN3/c14-10-6-7-12-11(8-10)13(16-17-15-12)9-4-2-1-3-5-9/h1-8H
InChIKeyFAONSHXBPKBFFM-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.35
Rot. Bonds1

About 6-chloro-4-phenyl-1,2,3-benzotriazine

6-chloro-4-phenyl-1,2,3-benzotriazine (PubChem CID 902491) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-4-phenyl-1,2,3-benzotriazine.

Molecular Properties

Compound Name6-chloro-4-phenyl-1,2,3-benzotriazine
PubChem CID902491
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name6-chloro-4-phenyl-1,2,3-benzotriazine
SMILESClc1ccc2nnnc(-c3ccccc3)c2c1
InChIInChI=1S/C13H8ClN3/c14-10-6-7-12-11(8-10)13(16-17-15-12)9-4-2-1-3-5-9/h1-8H
InChIKeyFAONSHXBPKBFFM-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-1,2,3-benzotriazine?
The IUPAC name of 6-chloro-4-phenyl-1,2,3-benzotriazine (CID 902491) is 6-chloro-4-phenyl-1,2,3-benzotriazine.
What is the SMILES notation for 6-chloro-4-phenyl-1,2,3-benzotriazine?
The canonical SMILES for 6-chloro-4-phenyl-1,2,3-benzotriazine is Clc1ccc2nnnc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-1,2,3-benzotriazine?
The InChIKey is FAONSHXBPKBFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c14-10-6-7-12-11(8-10)13(16-17-15-12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 6-chloro-4-phenyl-1,2,3-benzotriazine?
6-chloro-4-phenyl-1,2,3-benzotriazine has a molecular weight of 241.68 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-1,2,3-benzotriazine is sourced from PubChem (CID 902491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).