3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one

C8H7N3O2 — CID 135818619

IUPAC3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2O)[nH]1
InChIInChI=1S/C8H7N3O2/c12-6-4-2-1-3-5(6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13)
InChIKeyORKJEQNWTYWDPU-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.47
Rot. Bonds1

About 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135818619) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135818619
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2O)[nH]1
InChIInChI=1S/C8H7N3O2/c12-6-4-2-1-3-5(6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13)
InChIKeyORKJEQNWTYWDPU-UHFFFAOYSA-N
XLogP0.47
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 135818619) is 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccccc2O)[nH]1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ORKJEQNWTYWDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-6-4-2-1-3-5(6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13).
What are the key properties of 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 177.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135818619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).