5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one

C11H20N4O2 — CID 136590629

IUPAC5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCOC1CN(Cc2nn(C)c(=O)[nH]2)CCC1C
InChIInChI=1S/C11H20N4O2/c1-8-4-5-15(6-9(8)17-3)7-10-12-11(16)14(2)13-10/h8-9H,4-7H2,1-3H3,(H,12,13,16)
InChIKeyQRNFGGJGGCAOKO-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.03
Rot. Bonds3

About 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one

5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 136590629) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID136590629
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCOC1CN(Cc2nn(C)c(=O)[nH]2)CCC1C
InChIInChI=1S/C11H20N4O2/c1-8-4-5-15(6-9(8)17-3)7-10-12-11(16)14(2)13-10/h8-9H,4-7H2,1-3H3,(H,12,13,16)
InChIKeyQRNFGGJGGCAOKO-UHFFFAOYSA-N
XLogP-0.03
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-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

N-ethyl-4-(4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115333
3-[[4-(1-Hydroxyethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768240
3-[(3-Hydroxy-4-methylpiperidin-1-yl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768295
5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 137193841
5-{[rel-(2R,6S)-2-butyl-6-isopropyl-4-morpholinyl]carbonyl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 157013538
3-[1-[2-(2-Methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 167765154

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one (CID 136590629) is 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one is COC1CN(Cc2nn(C)c(=O)[nH]2)CCC1C.
What is the InChIKey of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is QRNFGGJGGCAOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-4-5-15(6-9(8)17-3)7-10-12-11(16)14(2)13-10/h8-9H,4-7H2,1-3H3,(H,12,13,16).
What are the key properties of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 240.31 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136590629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).