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

C5H5N5O2 — CID 63757610

IUPAC[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C5H5N5O2/c11-1-3-8-5(10-12-3)4-6-2-7-9-4/h2,11H,1H2,(H,6,7,9)
InChIKeyZYOZFIMSDARSRC-UHFFFAOYSA-N
MW167.13 g/mol
LogP-0.65
Rot. Bonds2

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

[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 63757610) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID63757610
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C5H5N5O2/c11-1-3-8-5(10-12-3)4-6-2-7-9-4/h2,11H,1H2,(H,6,7,9)
InChIKeyZYOZFIMSDARSRC-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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Frequently Asked Questions

What is the IUPAC name of [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol (CID 63757610) is [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is ZYOZFIMSDARSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c11-1-3-8-5(10-12-3)4-6-2-7-9-4/h2,11H,1H2,(H,6,7,9).
What are the key properties of [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-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 [3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 63757610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).