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

C5H5N5O2 — CID 102660324

IUPAC[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2cn[nH]n2)n1
InChIInChI=1S/C5H5N5O2/c11-2-4-7-5(12-9-4)3-1-6-10-8-3/h1,11H,2H2,(H,6,8,10)
InChIKeyGMNZHWNDKDQTJD-UHFFFAOYSA-N
MW167.13 g/mol
LogP-0.65
Rot. Bonds2

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

[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660324) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660324
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2cn[nH]n2)n1
InChIInChI=1S/C5H5N5O2/c11-2-4-7-5(12-9-4)3-1-6-10-8-3/h1,11H,2H2,(H,6,8,10)
InChIKeyGMNZHWNDKDQTJD-UHFFFAOYSA-N
XLogP-0.65
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-5-(2H-triazol-4-yl)-1,2,4-oxadiazole
CID 112571918
[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
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(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol
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1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
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4-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904488
5-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706857
[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660381
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
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[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 106854843
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 164656797

Frequently Asked Questions

What is the IUPAC name of [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660324) is [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2cn[nH]n2)n1.
What is the InChIKey of [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is GMNZHWNDKDQTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c11-2-4-7-5(12-9-4)3-1-6-10-8-3/h1,11H,2H2,(H,6,8,10).
What are the key properties of [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 167.13 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).