6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one

C20H15N3O2 — CID 53388862

IUPAC6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one
SMILESCOc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O
InChIInChI=1S/C20H15N3O2/c1-25-19-12-16-17(13-18(19)24)23(15-10-6-3-7-11-15)22-20(21-16)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyVYNSCIVZFYRMMJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.41
Rot. Bonds3

About 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one

6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one (PubChem CID 53388862) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one.

Molecular Properties

Compound Name6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one
PubChem CID53388862
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one
SMILESCOc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O
InChIInChI=1S/C20H15N3O2/c1-25-19-12-16-17(13-18(19)24)23(15-10-6-3-7-11-15)22-20(21-16)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyVYNSCIVZFYRMMJ-UHFFFAOYSA-N
XLogP3.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The IUPAC name of 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one (CID 53388862) is 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one.
What is the SMILES notation for 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The canonical SMILES for 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one is COc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O.
What is the InChIKey of 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one?
The InChIKey is VYNSCIVZFYRMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-19-12-16-17(13-18(19)24)23(15-10-6-3-7-11-15)22-20(21-16)14-8-4-2-5-9-14/h2-13H,1H3.
What are the key properties of 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one?
6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one has a molecular weight of 329.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one is sourced from PubChem (CID 53388862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).