3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one

C19H19N3O2 — CID 9010695

IUPAC3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one
SMILESCc1cc(C)c(C(=O)Cn2nnc3ccccc3c2=O)c(C)c1C
InChIInChI=1S/C19H19N3O2/c1-11-9-12(2)18(14(4)13(11)3)17(23)10-22-19(24)15-7-5-6-8-16(15)20-21-22/h5-9H,10H2,1-4H3
InChIKeyCSFAUCHBDUXCSN-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.91
Rot. Bonds3

About 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one

3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one (PubChem CID 9010695) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one
PubChem CID9010695
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one
SMILESCc1cc(C)c(C(=O)Cn2nnc3ccccc3c2=O)c(C)c1C
InChIInChI=1S/C19H19N3O2/c1-11-9-12(2)18(14(4)13(11)3)17(23)10-22-19(24)15-7-5-6-8-16(15)20-21-22/h5-9H,10H2,1-4H3
InChIKeyCSFAUCHBDUXCSN-UHFFFAOYSA-N
XLogP2.91
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
CID 7529241
3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714491
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714437
3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714550
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 30896765
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 4910274
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one (CID 9010695) is 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one is Cc1cc(C)c(C(=O)Cn2nnc3ccccc3c2=O)c(C)c1C.
What is the InChIKey of 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is CSFAUCHBDUXCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-9-12(2)18(14(4)13(11)3)17(23)10-22-19(24)15-7-5-6-8-16(15)20-21-22/h5-9H,10H2,1-4H3.
What are the key properties of 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one?
3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 321.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 9010695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).