3-(phenoxymethyl)-1,2,3-benzotriazin-4-one

C14H11N3O2 — CID 5300896

IUPAC3-(phenoxymethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1COc1ccccc1
InChIInChI=1S/C14H11N3O2/c18-14-12-8-4-5-9-13(12)15-16-17(14)10-19-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDZIKZPHMEAHQSR-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.83
Rot. Bonds3

About 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one

3-(phenoxymethyl)-1,2,3-benzotriazin-4-one (PubChem CID 5300896) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-(phenoxymethyl)-1,2,3-benzotriazin-4-one
PubChem CID5300896
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(phenoxymethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1COc1ccccc1
InChIInChI=1S/C14H11N3O2/c18-14-12-8-4-5-9-13(12)15-16-17(14)10-19-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDZIKZPHMEAHQSR-UHFFFAOYSA-N
XLogP1.83
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenoxybutanoate
CID 2548793
3-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,2,3-benzotriazin-4-one
CID 2116108
1-(phenoxymethyl)benzotriazole
CID 640750
3-[(2,3-dichlorophenoxy)methyl]-1,2,3-benzotriazin-4-one
CID 2087484
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
3-[2-(4-methoxyphenoxy)ethyl]-1,2,3-benzotriazin-4-one
CID 2714405
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3-chlorophenoxy)acetate
CID 7804023
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propoxy]benzonitrile
CID 47038218
3-(methylsulfinylmethyl)-1,2,3-benzotriazin-4-one
CID 71412255
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylbenzoate
CID 7554658

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one (CID 5300896) is 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one?
The InChIKey is DZIKZPHMEAHQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14-12-8-4-5-9-13(12)15-16-17(14)10-19-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one?
3-(phenoxymethyl)-1,2,3-benzotriazin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 5300896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).