2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide

C19H28N6O — CID 97446199

IUPAC2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(CC(N)=O)nc2[C@@H](C)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C19H28N6O/c1-13-5-6-16(14(2)11-13)25-19(21-18(22-25)12-17(20)26)15(3)24-9-7-23(4)8-10-24/h5-6,11,15H,7-10,12H2,1-4H3,(H2,20,26)/t15-/m1/s1
InChIKeyFUEOCSQUNOSKMC-OAHLLOKOSA-N
MW356.47 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide

2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 97446199) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID97446199
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(CC(N)=O)nc2[C@@H](C)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C19H28N6O/c1-13-5-6-16(14(2)11-13)25-19(21-18(22-25)12-17(20)26)15(3)24-9-7-23(4)8-10-24/h5-6,11,15H,7-10,12H2,1-4H3,(H2,20,26)/t15-/m1/s1
InChIKeyFUEOCSQUNOSKMC-OAHLLOKOSA-N
XLogP1.22
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

acetic acid;2-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-1-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]acetamide
CID 155938181
1-[(1S)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
CID 97155556
1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
CID 97155555
2-[5-[(1S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-(4-fluorophenyl)-1,2,4-triazol-3-yl]acetamide
CID 97446022
1-(2,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093375
4-O-[1-(2,4-dimethylphenyl)-3-propan-2-ylpyrazol-5-yl] 1-O-ethyl butanedioate
CID 42727200
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860255
2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419241
2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 131896401
2-[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-naphthalen-1-yl-1,2,4-triazol-3-yl]acetamide
CID 74238135
(3R,5S)-5-[2-(2,4-dimethylphenyl)-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 72847637
1-(2,4-dimethylphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxylic acid
CID 82479734

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide (CID 97446199) is 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide is Cc1ccc(-n2nc(CC(N)=O)nc2[C@@H](C)N2CCN(C)CC2)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is FUEOCSQUNOSKMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13-5-6-16(14(2)11-13)25-19(21-18(22-25)12-17(20)26)15(3)24-9-7-23(4)8-10-24/h5-6,11,15H,7-10,12H2,1-4H3,(H2,20,26)/t15-/m1/s1.
What are the key properties of 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 97446199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).