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

C9H9N3O2 — CID 3780028

IUPAC3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CCO
InChIInChI=1S/C9H9N3O2/c13-6-5-12-9(14)7-3-1-2-4-8(7)10-11-12/h1-4,13H,5-6H2
InChIKeyOENHVTAMUAZEKH-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.22
Rot. Bonds2

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

3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one (PubChem CID 3780028) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one
PubChem CID3780028
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CCO
InChIInChI=1S/C9H9N3O2/c13-6-5-12-9(14)7-3-1-2-4-8(7)10-11-12/h1-4,13H,5-6H2
InChIKeyOENHVTAMUAZEKH-UHFFFAOYSA-N
XLogP-0.22
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one (CID 3780028) is 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one?
The InChIKey is OENHVTAMUAZEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-6-5-12-9(14)7-3-1-2-4-8(7)10-11-12/h1-4,13H,5-6H2.
What are the key properties of 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one?
3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 3780028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).