2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide

C14H15N5O2 — CID 135898452

IUPAC2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)c1
InChIInChI=1S/C14H15N5O2/c1-8-4-3-5-10(6-8)16-12(20)7-11-13(21)17-14-15-9(2)18-19(11)14/h3-6,11H,7H2,1-2H3,(H,16,20)(H,15,17,18,21)/t11-/m1/s1
InChIKeyVMVQBIHIRTUBKD-LLVKDONJSA-N
MW285.31 g/mol
LogP1.42
Rot. Bonds3

About 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide

2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide (PubChem CID 135898452) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide
PubChem CID135898452
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)c1
InChIInChI=1S/C14H15N5O2/c1-8-4-3-5-10(6-8)16-12(20)7-11-13(21)17-14-15-9(2)18-19(11)14/h3-6,11H,7H2,1-2H3,(H,16,20)(H,15,17,18,21)/t11-/m1/s1
InChIKeyVMVQBIHIRTUBKD-LLVKDONJSA-N
XLogP1.42
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649906
N-(3,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635965
N-(4-acetylphenyl)-2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135925036
N-(2,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649913
N-(3,4-dichlorophenyl)-2-[(6R)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902881
N-(3,4-dichlorophenyl)-2-[(6S)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902882
N-(3,4-difluorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135993921
N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135950481
N-(2,5-dimethylphenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135629878
2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide
CID 135878642
N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649956
2-[(6R)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135898465

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide (CID 135898452) is 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)c1.
What is the InChIKey of 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is VMVQBIHIRTUBKD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-4-3-5-10(6-8)16-12(20)7-11-13(21)17-14-15-9(2)18-19(11)14/h3-6,11H,7H2,1-2H3,(H,16,20)(H,15,17,18,21)/t11-/m1/s1.
What are the key properties of 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide?
2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 285.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 135898452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).