4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one

C9H16N4O — CID 107410554

IUPAC4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
SMILESCC1CCC(n2cn[nH]c2=O)C(C)N1
InChIInChI=1S/C9H16N4O/c1-6-3-4-8(7(2)11-6)13-5-10-12-9(13)14/h5-8,11H,3-4H2,1-2H3,(H,12,14)
InChIKeyOSTUFGDGKKHMSC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.27
Rot. Bonds1

About 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one

4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one (PubChem CID 107410554) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
PubChem CID107410554
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
SMILESCC1CCC(n2cn[nH]c2=O)C(C)N1
InChIInChI=1S/C9H16N4O/c1-6-3-4-8(7(2)11-6)13-5-10-12-9(13)14/h5-8,11H,3-4H2,1-2H3,(H,12,14)
InChIKeyOSTUFGDGKKHMSC-UHFFFAOYSA-N
XLogP0.27
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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-(2,6-dimethylpiperidin-3-yl)-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-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one (CID 107410554) is 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one is CC1CCC(n2cn[nH]c2=O)C(C)N1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one?
The InChIKey is OSTUFGDGKKHMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-3-4-8(7(2)11-6)13-5-10-12-9(13)14/h5-8,11H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one?
4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 196.25 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).