4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one

C11H18N4O2 — CID 81487839

IUPAC4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCNCC2)n1C1CCOC1
InChIInChI=1S/C11H18N4O2/c16-11-14-13-10(8-1-4-12-5-2-8)15(11)9-3-6-17-7-9/h8-9,12H,1-7H2,(H,14,16)
InChIKeyNNRMRSRYCCYGIA-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.00
Rot. Bonds2

About 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one

4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one (PubChem CID 81487839) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
PubChem CID81487839
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCNCC2)n1C1CCOC1
InChIInChI=1S/C11H18N4O2/c16-11-14-13-10(8-1-4-12-5-2-8)15(11)9-3-6-17-7-9/h8-9,12H,1-7H2,(H,14,16)
InChIKeyNNRMRSRYCCYGIA-UHFFFAOYSA-N
XLogP-0.00
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one (CID 81487839) is 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CCNCC2)n1C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one?
The InChIKey is NNRMRSRYCCYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-11-14-13-10(8-1-4-12-5-2-8)15(11)9-3-6-17-7-9/h8-9,12H,1-7H2,(H,14,16).
What are the key properties of 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one?
4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one has a molecular weight of 238.29 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81487839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).