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

C10H18N4O — CID 135419050

IUPAC5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one
SMILESCC1CCCC(C)N1c1nn(C)c(=O)[nH]1
InChIInChI=1S/C10H18N4O/c1-7-5-4-6-8(2)14(7)9-11-10(15)13(3)12-9/h7-8H,4-6H2,1-3H3,(H,11,12,15)
InChIKeyHBWXYJICFFLQRZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds1

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

5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 135419050) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID135419050
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one
SMILESCC1CCCC(C)N1c1nn(C)c(=O)[nH]1
InChIInChI=1S/C10H18N4O/c1-7-5-4-6-8(2)14(7)9-11-10(15)13(3)12-9/h7-8H,4-6H2,1-3H3,(H,11,12,15)
InChIKeyHBWXYJICFFLQRZ-UHFFFAOYSA-N
XLogP0.88
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-2-(2-piperidin-2-ylethyl)-1,2,4-triazol-3-one
CID 81947964
5-Amino-4-cyclohexyl-2-methyl-1,2,4-triazol-3-one
CID 82840904
4-Cyclohexyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82840989
4-Cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one
CID 82841163
4-Cyclohexyl-2-methyl-5-(propylamino)-1,2,4-triazol-3-one
CID 82841614
5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-4H-1,2,4-triazol-3-one
CID 135726761
5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-4H-1,2,4-triazol-3-one
CID 135726762
5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-4H-1,2,4-triazol-3-one
CID 135726763
3-(3-Amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136836512
3-[4-(Methylamino)piperidin-1-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136836591

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one (CID 135419050) is 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one is CC1CCCC(C)N1c1nn(C)c(=O)[nH]1.
What is the InChIKey of 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is HBWXYJICFFLQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-5-4-6-8(2)14(7)9-11-10(15)13(3)12-9/h7-8H,4-6H2,1-3H3,(H,11,12,15).
What are the key properties of 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one?
5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 210.28 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 135419050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).