2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide

C13H22N6O2 — CID 112530400

IUPAC2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)N2CCN(C)CC2)nn1
InChIInChI=1S/C13H22N6O2/c1-10(2)13(21)14-11-8-19(16-15-11)9-12(20)18-6-4-17(3)5-7-18/h8,10H,4-7,9H2,1-3H3,(H,14,21)
InChIKeyOLZMSOZYXPQRJU-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.35
Rot. Bonds4

About 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide

2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112530400) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112530400
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)N2CCN(C)CC2)nn1
InChIInChI=1S/C13H22N6O2/c1-10(2)13(21)14-11-8-19(16-15-11)9-12(20)18-6-4-17(3)5-7-18/h8,10H,4-7,9H2,1-3H3,(H,14,21)
InChIKeyOLZMSOZYXPQRJU-UHFFFAOYSA-N
XLogP-0.35
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide 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-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531418
ethyl N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112530396
N-[1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531833
N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
CID 112530434
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
N-[1-[2-[3-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112532028
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300
2-amino-3-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735191
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
(2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride
CID 119877312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide (CID 112530400) is 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide is CC(C)C(=O)Nc1cn(CC(=O)N2CCN(C)CC2)nn1.
What is the InChIKey of 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is OLZMSOZYXPQRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-10(2)13(21)14-11-8-19(16-15-11)9-12(20)18-6-4-17(3)5-7-18/h8,10H,4-7,9H2,1-3H3,(H,14,21).
What are the key properties of 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 294.36 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112530400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).