5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C10H7N5O3 — CID 107706857

IUPAC5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc(-c3cn[nH]n3)no2)c1
InChIInChI=1S/C10H7N5O3/c16-6-1-5(2-7(17)3-6)10-12-9(14-18-10)8-4-11-15-13-8/h1-4,16-17H,(H,11,13,15)
InChIKeyHTRQJQWQVGYTAF-UHFFFAOYSA-N
MW245.20 g/mol
LogP0.93
Rot. Bonds2

About 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 107706857) has the molecular formula C10H7N5O3 and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID107706857
Molecular FormulaC10H7N5O3
Molecular Weight245.20 g/mol
Exact Mass245.05
IUPAC Name5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc(-c3cn[nH]n3)no2)c1
InChIInChI=1S/C10H7N5O3/c16-6-1-5(2-7(17)3-6)10-12-9(14-18-10)8-4-11-15-13-8/h1-4,16-17H,(H,11,13,15)
InChIKeyHTRQJQWQVGYTAF-UHFFFAOYSA-N
XLogP0.93
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904488
4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885778
3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526038
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830916
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136847715
5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706952
5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707047
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
4-(2H-triazol-4-yl)phenol;hydrate
CID 174757951
3-chloro-5-(2H-triazol-4-yl)-1,2,4-oxadiazole
CID 112571918
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 107706857) is 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1cc(O)cc(-c2nc(-c3cn[nH]n3)no2)c1.
What is the InChIKey of 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is HTRQJQWQVGYTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3/c16-6-1-5(2-7(17)3-6)10-12-9(14-18-10)8-4-11-15-13-8/h1-4,16-17H,(H,11,13,15).
What are the key properties of 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 245.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 107706857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).