2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide

C12H14N4O2 — CID 143582191

IUPAC2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESCc1ccc(-c2nn(CC(N)=O)c(=O)n2C)cc1
InChIInChI=1S/C12H14N4O2/c1-8-3-5-9(6-4-8)11-14-16(7-10(13)17)12(18)15(11)2/h3-6H,7H2,1-2H3,(H2,13,17)
InChIKeyWXXGXPWRJDZNON-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.04
Rot. Bonds3

About 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide

2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide (PubChem CID 143582191) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
PubChem CID143582191
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESCc1ccc(-c2nn(CC(N)=O)c(=O)n2C)cc1
InChIInChI=1S/C12H14N4O2/c1-8-3-5-9(6-4-8)11-14-16(7-10(13)17)12(18)15(11)2/h3-6H,7H2,1-2H3,(H2,13,17)
InChIKeyWXXGXPWRJDZNON-UHFFFAOYSA-N
XLogP0.04
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011683
5-(3-bromophenyl)-2-(2-fluoroprop-2-enyl)-4-methyl-1,2,4-triazol-3-one
CID 167959519
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 864878
2-(3,6-dimethylindazol-2-yl)acetamide
CID 176997387
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide
CID 121078640
2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
CID 16898433
2-fluoro-N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078450
N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]cyclopentanecarboxamide
CID 121078469
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-one
CID 167850741
2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 144996703
2-(2-bromoethyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one
CID 166063686
3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
CID 135273255

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide (CID 143582191) is 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide is Cc1ccc(-c2nn(CC(N)=O)c(=O)n2C)cc1.
What is the InChIKey of 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The InChIKey is WXXGXPWRJDZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-3-5-9(6-4-8)11-14-16(7-10(13)17)12(18)15(11)2/h3-6H,7H2,1-2H3,(H2,13,17).
What are the key properties of 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 143582191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).