1-(2-hydroxyethyl)benzotriazol-5-ol

C8H9N3O2 — CID 83524240

IUPAC1-(2-hydroxyethyl)benzotriazol-5-ol
SMILESOCCn1nnc2cc(O)ccc21
InChIInChI=1S/C8H9N3O2/c12-4-3-11-8-2-1-6(13)5-7(8)9-10-11/h1-2,5,12-13H,3-4H2
InChIKeyBFOPHXQODAFJMP-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.13
Rot. Bonds2

About 1-(2-hydroxyethyl)benzotriazol-5-ol

1-(2-hydroxyethyl)benzotriazol-5-ol (PubChem CID 83524240) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)benzotriazol-5-ol.

Molecular Properties

Compound Name1-(2-hydroxyethyl)benzotriazol-5-ol
PubChem CID83524240
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1-(2-hydroxyethyl)benzotriazol-5-ol
SMILESOCCn1nnc2cc(O)ccc21
InChIInChI=1S/C8H9N3O2/c12-4-3-11-8-2-1-6(13)5-7(8)9-10-11/h1-2,5,12-13H,3-4H2
InChIKeyBFOPHXQODAFJMP-UHFFFAOYSA-N
XLogP0.13
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dichlorobenzotriazol-1-yl)ethanol
CID 82147134
3-(2-hydroxyethyl)benzotriazole-5-carbonitrile
CID 131420579
5-bromo-1-(2-chloroethyl)benzotriazole
CID 3805384
1-(4-chlorophenyl)benzotriazol-5-ol
CID 69105798
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(3-amino-3-oxopropyl)benzotriazole-5-carboxylic acid
CID 43553609
3-[5-[carboxymethyl(methyl)amino]benzotriazol-1-yl]propanoic acid
CID 117099552
ethyl 1-(2-aminoethyl)benzotriazole-5-carboxylate
CID 91811951
1-(chloromethyl)benzotriazol-5-amine
CID 134294828
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)benzotriazol-5-ol?
The IUPAC name of 1-(2-hydroxyethyl)benzotriazol-5-ol (CID 83524240) is 1-(2-hydroxyethyl)benzotriazol-5-ol.
What is the SMILES notation for 1-(2-hydroxyethyl)benzotriazol-5-ol?
The canonical SMILES for 1-(2-hydroxyethyl)benzotriazol-5-ol is OCCn1nnc2cc(O)ccc21.
What is the InChIKey of 1-(2-hydroxyethyl)benzotriazol-5-ol?
The InChIKey is BFOPHXQODAFJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-4-3-11-8-2-1-6(13)5-7(8)9-10-11/h1-2,5,12-13H,3-4H2.
What are the key properties of 1-(2-hydroxyethyl)benzotriazol-5-ol?
1-(2-hydroxyethyl)benzotriazol-5-ol has a molecular weight of 179.18 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)benzotriazol-5-ol is sourced from PubChem (CID 83524240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).