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

C11H16N6O2 — CID 111544232

IUPAC[1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2nc(-c3ncn[nH]3)no2)CC1
InChIInChI=1S/C11H16N6O2/c18-6-8-1-3-17(4-2-8)5-9-14-11(16-19-9)10-12-7-13-15-10/h7-8,18H,1-6H2,(H,12,13,15)
InChIKeyYZPNZWCXOBFACC-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.06
Rot. Bonds4

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

[1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol (PubChem CID 111544232) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
PubChem CID111544232
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name[1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2nc(-c3ncn[nH]3)no2)CC1
InChIInChI=1S/C11H16N6O2/c18-6-8-1-3-17(4-2-8)5-9-14-11(16-19-9)10-12-7-13-15-10/h7-8,18H,1-6H2,(H,12,13,15)
InChIKeyYZPNZWCXOBFACC-UHFFFAOYSA-N
XLogP0.06
TPSA103.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol (CID 111544232) is [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2nc(-c3ncn[nH]3)no2)CC1.
What is the InChIKey of [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is YZPNZWCXOBFACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c18-6-8-1-3-17(4-2-8)5-9-14-11(16-19-9)10-12-7-13-15-10/h7-8,18H,1-6H2,(H,12,13,15).
What are the key properties of [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol?
[1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 264.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 111544232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).