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

C9H16N4O — CID 107410545

IUPAC4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCC1CCCNC1
InChIInChI=1S/C9H16N4O/c14-9-12-11-7-13(9)5-3-8-2-1-4-10-6-8/h7-8,10H,1-6H2,(H,12,14)
InChIKeyORCIBJYIWBKHKA-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.04
Rot. Bonds3

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

4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410545) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one
PubChem CID107410545
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCC1CCCNC1
InChIInChI=1S/C9H16N4O/c14-9-12-11-7-13(9)5-3-8-2-1-4-10-6-8/h7-8,10H,1-6H2,(H,12,14)
InChIKeyORCIBJYIWBKHKA-UHFFFAOYSA-N
XLogP-0.04
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 71756222
4-Ethyl-5-(piperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 81488374
4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 71756223
3-piperidin-4-yl-4-propyl-1H-1,2,4-triazol-5-one
CID 81488299
4-butyl-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
CID 81488371
4-butyl-3-piperidin-3-yl-1H-1,2,4-triazol-5-one
CID 81488373
3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one
CID 81488808
4-Methyl-2-(piperidin-3-ylmethyl)-1,2,4-triazol-3-one
CID 81947610
4-Methyl-2-(piperidin-4-ylmethyl)-1,2,4-triazol-3-one
CID 81947649
4-Methyl-2-(2-piperidin-3-ylethyl)-1,2,4-triazol-3-one
CID 81948116
4-(piperidin-4-ylmethyl)-1H-1,2,4-triazol-5-one
CID 84048286
4-ethyl-3-[(3R)-piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 96080056

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one (CID 107410545) is 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CCC1CCCNC1.
What is the InChIKey of 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is ORCIBJYIWBKHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c14-9-12-11-7-13(9)5-3-8-2-1-4-10-6-8/h7-8,10H,1-6H2,(H,12,14).
What are the key properties of 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one?
4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 196.25 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).