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

C17H24N4O — CID 51108574

IUPACN-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)Cn1nc(C)nc1-c1cccc(C)c1
InChIInChI=1S/C17H24N4O/c1-6-17(4,5)19-15(22)11-21-16(18-13(3)20-21)14-9-7-8-12(2)10-14/h7-10H,6,11H2,1-5H3,(H,19,22)
InChIKeyMRQUVFGLBGKWGB-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.87
Rot. Bonds5

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

N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 51108574) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID51108574
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)Cn1nc(C)nc1-c1cccc(C)c1
InChIInChI=1S/C17H24N4O/c1-6-17(4,5)19-15(22)11-21-16(18-13(3)20-21)14-9-7-8-12(2)10-14/h7-10H,6,11H2,1-5H3,(H,19,22)
InChIKeyMRQUVFGLBGKWGB-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 1147433
1-(2-Methylcyclohexyl)-3-[3-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)propyl]urea
CID 135368471
2-(3,5-diphenyl-1H-1,2,4-triazol-1-yl)acetamide
CID 855851
2-(3,5-Diphenyl-[1,2,4]triazol-1-yl)-N-(2,4,6-trimethyl-phenyl)-acetamide
CID 995138
(S)-1-Methyl-pyrrolidine-2-carboxylic acid {1-[1-benzyl-5-(4-fluoro-phenyl)-1H-[1,2,4]-triazol-3-ylcarbamoyl]-1-methyl-ethyl}-amide
CID 57513780
N-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 44318818
2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 47093474
2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
CID 53542611
N-(1-cyclopropylethyl)-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 53546777
N-(1-cyclopropylethyl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide
CID 53546797
N-cyclopentyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 53546798
N-tert-butyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 53546824

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide (CID 51108574) is N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide is CCC(C)(C)NC(=O)Cn1nc(C)nc1-c1cccc(C)c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is MRQUVFGLBGKWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-6-17(4,5)19-15(22)11-21-16(18-13(3)20-21)14-9-7-8-12(2)10-14/h7-10H,6,11H2,1-5H3,(H,19,22).
What are the key properties of N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 300.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[3-methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 51108574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).