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

C16H21N5O2 — CID 121117019

IUPAC4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)Cn2nc(-c3ccccn3)n(C)c2=O)CC1
InChIInChI=1S/C16H21N5O2/c1-12-6-9-20(10-7-12)14(22)11-21-16(23)19(2)15(18-21)13-5-3-4-8-17-13/h3-5,8,12H,6-7,9-11H2,1-2H3
InChIKeyKONFUGBVFYACHN-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.90
Rot. Bonds3

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

4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one (PubChem CID 121117019) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one
PubChem CID121117019
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)Cn2nc(-c3ccccn3)n(C)c2=O)CC1
InChIInChI=1S/C16H21N5O2/c1-12-6-9-20(10-7-12)14(22)11-21-16(23)19(2)15(18-21)13-5-3-4-8-17-13/h3-5,8,12H,6-7,9-11H2,1-2H3
InChIKeyKONFUGBVFYACHN-UHFFFAOYSA-N
XLogP0.90
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-[2-(1,3-dioxan-2-yl)ethyl]-4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-one
CID 121116937
2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
CID 121116926
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116075
4-methyl-2-[(2-methylphenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-one
CID 121116951
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 71793308
N-(2,5-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116983
1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110094098
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
CID 110681807
4-bromo-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121116021
N-[2-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121115984
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953453
12-ethyl-11-methyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 46950468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one (CID 121117019) is 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one is CC1CCN(C(=O)Cn2nc(-c3ccccn3)n(C)c2=O)CC1.
What is the InChIKey of 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one?
The InChIKey is KONFUGBVFYACHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-6-9-20(10-7-12)14(22)11-21-16(23)19(2)15(18-21)13-5-3-4-8-17-13/h3-5,8,12H,6-7,9-11H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one?
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one has a molecular weight of 315.38 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyridin-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 121117019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).