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

C9H16N4O — CID 107410539

IUPAC4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCC1CCCCN1
InChIInChI=1S/C9H16N4O/c14-9-12-11-7-13(9)6-4-8-3-1-2-5-10-8/h7-8,10H,1-6H2,(H,12,14)
InChIKeyKFLFZKBAFVHDDB-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.10
Rot. Bonds3

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

4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410539) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one
PubChem CID107410539
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCC1CCCCN1
InChIInChI=1S/C9H16N4O/c14-9-12-11-7-13(9)6-4-8-3-1-2-5-10-8/h7-8,10H,1-6H2,(H,12,14)
InChIKeyKFLFZKBAFVHDDB-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-Methyl-2-(2-piperidin-2-ylethyl)-1,2,4-triazol-3-one
CID 81947964
4-[1-(2-aminoethyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 107410201
2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)piperidin-1-yl]acetonitrile
CID 107410472
4-(piperidin-2-ylmethyl)-1H-1,2,4-triazol-5-one
CID 107410535
4-(piperidin-3-ylmethyl)-1H-1,2,4-triazol-5-one
CID 107410536
4-(1-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one
CID 107410541
4-(1-piperidin-4-ylethyl)-1H-1,2,4-triazol-5-one
CID 107410542
4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one
CID 107410543
4-(2-piperidin-3-ylethyl)-1H-1,2,4-triazol-5-one
CID 107410545

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one (CID 107410539) is 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CCC1CCCCN1.
What is the InChIKey of 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is KFLFZKBAFVHDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c14-9-12-11-7-13(9)6-4-8-3-1-2-5-10-8/h7-8,10H,1-6H2,(H,12,14).
What are the key properties of 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one?
4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 196.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).