4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one

C12H20N4O — CID 81487992

IUPAC4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCNCC2)n1C1CCCC1
InChIInChI=1S/C12H20N4O/c17-12-15-14-11(9-5-7-13-8-6-9)16(12)10-3-1-2-4-10/h9-10,13H,1-8H2,(H,15,17)
InChIKeyRYLHRGWYWNNCRF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.15
Rot. Bonds2

About 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one

4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one (PubChem CID 81487992) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
PubChem CID81487992
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCNCC2)n1C1CCCC1
InChIInChI=1S/C12H20N4O/c17-12-15-14-11(9-5-7-13-8-6-9)16(12)10-3-1-2-4-10/h9-10,13H,1-8H2,(H,15,17)
InChIKeyRYLHRGWYWNNCRF-UHFFFAOYSA-N
XLogP1.15
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one (CID 81487992) is 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CCNCC2)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one?
The InChIKey is RYLHRGWYWNNCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12-15-14-11(9-5-7-13-8-6-9)16(12)10-3-1-2-4-10/h9-10,13H,1-8H2,(H,15,17).
What are the key properties of 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one?
4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one has a molecular weight of 236.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81487992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).