6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one

C13H9Cl2N3O2 — CID 3664107

IUPAC6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one
SMILESO=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccccc1
InChIInChI=1S/C13H9Cl2N3O2/c14-9-6-11-12(7-10(9)15)18(20)17(13(19)16-11)8-4-2-1-3-5-8/h1-7,20H,(H,16,19)
InChIKeyONOCFBWSGWWGAR-UHFFFAOYSA-N
MW310.14 g/mol
LogP4.16
Rot. Bonds1

About 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one

6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one (PubChem CID 3664107) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one.

Molecular Properties

Compound Name6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one
PubChem CID3664107
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC Name6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one
SMILESO=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccccc1
InChIInChI=1S/C13H9Cl2N3O2/c14-9-6-11-12(7-10(9)15)18(20)17(13(19)16-11)8-4-2-1-3-5-8/h1-7,20H,(H,16,19)
InChIKeyONOCFBWSGWWGAR-UHFFFAOYSA-N
XLogP4.16
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one?
The IUPAC name of 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one (CID 3664107) is 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one.
What is the SMILES notation for 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one?
The canonical SMILES for 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one is O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccccc1.
What is the InChIKey of 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one?
The InChIKey is ONOCFBWSGWWGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c14-9-6-11-12(7-10(9)15)18(20)17(13(19)16-11)8-4-2-1-3-5-8/h1-7,20H,(H,16,19).
What are the key properties of 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one?
6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one has a molecular weight of 310.14 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-hydroxy-2-phenyl-4H-1,2,4-benzotriazin-3-one is sourced from PubChem (CID 3664107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).