6-methyl-3-phenyl-1,2,3-benzotriazin-4-one

C14H11N3O — CID 132525992

IUPAC6-methyl-3-phenyl-1,2,3-benzotriazin-4-one
SMILESCc1ccc2nnn(-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C14H11N3O/c1-10-7-8-13-12(9-10)14(18)17(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyRGWWLLQNVHHOJR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.09
Rot. Bonds1

About 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one

6-methyl-3-phenyl-1,2,3-benzotriazin-4-one (PubChem CID 132525992) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-1,2,3-benzotriazin-4-one
PubChem CID132525992
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name6-methyl-3-phenyl-1,2,3-benzotriazin-4-one
SMILESCc1ccc2nnn(-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C14H11N3O/c1-10-7-8-13-12(9-10)14(18)17(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyRGWWLLQNVHHOJR-UHFFFAOYSA-N
XLogP2.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-nitro-3-phenyl-1,2,3-benzotriazin-4-one
CID 91824463
3,6-dimethyl-1,2,3-benzotriazin-4-one
CID 122431911
3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one
CID 2806547
5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid
CID 10361637
2,9-dimethylbenzo[c]cinnoline
CID 14472808
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
5-methyl-2-(4-methylphenyl)-3-phenylindazole
CID 177414447
5-methyl-2-phenyl-1,2-benzothiazol-3-one
CID 22416232
5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 4902245
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
5-methyl-3-phenyltriazolo[4,5-d]pyrimidine
CID 14006330
6-(4-methylphenyl)-3-(pyrimidin-2-ylmethoxy)-1,2,3-benzotriazin-4-one
CID 71000844

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one?
The IUPAC name of 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one (CID 132525992) is 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one?
The canonical SMILES for 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one is Cc1ccc2nnn(-c3ccccc3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one?
The InChIKey is RGWWLLQNVHHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-7-8-13-12(9-10)14(18)17(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one?
6-methyl-3-phenyl-1,2,3-benzotriazin-4-one has a molecular weight of 237.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 132525992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).