4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one

C9H16N4O — CID 107410543

IUPAC4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one
SMILESCC(C1CCCCN1)n1cn[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-7(8-4-2-3-5-10-8)13-6-11-12-9(13)14/h6-8,10H,2-5H2,1H3,(H,12,14)
InChIKeyIIXQATHNIHXCLA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.27
Rot. Bonds2

About 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one

4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410543) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one
PubChem CID107410543
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one
SMILESCC(C1CCCCN1)n1cn[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-7(8-4-2-3-5-10-8)13-6-11-12-9(13)14/h6-8,10H,2-5H2,1H3,(H,12,14)
InChIKeyIIXQATHNIHXCLA-UHFFFAOYSA-N
XLogP0.27
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

4-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 91643274
2,4-Dihydro-4-(4-piperidinyl)-3H-1,2,4-triazol-3-one
CID 68502202
4-[6-(trifluoromethyl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 107410559
4-cyclopentyl-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81479703
4-cyclohexyl-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81480280
4-butyl-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81481034
4-ethyl-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81481035
4-tert-butyl-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81482024
3-piperidin-2-yl-4-propyl-1H-1,2,4-triazol-5-one
CID 81482025
3-piperidin-2-yl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 81482169
4-cyclopropyl-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81482305
4-methyl-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81908250

Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one (CID 107410543) is 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one is CC(C1CCCCN1)n1cn[nH]c1=O.
What is the InChIKey of 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is IIXQATHNIHXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(8-4-2-3-5-10-8)13-6-11-12-9(13)14/h6-8,10H,2-5H2,1H3,(H,12,14).
What are the key properties of 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one?
4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 196.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).