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

C15H16N6O4 — CID 135878636

IUPAC2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCCc1nc2n(n1)[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2
InChIInChI=1S/C15H16N6O4/c1-3-12-17-15-18-14(23)11(20(15)19-12)7-13(22)16-10-6-9(21(24)25)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3,(H,16,22)(H,17,18,19,23)/t11-/m1/s1
InChIKeyJEJLXPHCFSUNPE-LLVKDONJSA-N
MW344.33 g/mol
LogP1.58
Rot. Bonds5

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

2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 135878636) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID135878636
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCCc1nc2n(n1)[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2
InChIInChI=1S/C15H16N6O4/c1-3-12-17-15-18-14(23)11(20(15)19-12)7-13(22)16-10-6-9(21(24)25)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3,(H,16,22)(H,17,18,19,23)/t11-/m1/s1
InChIKeyJEJLXPHCFSUNPE-LLVKDONJSA-N
XLogP1.58
TPSA132.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-5-nitrophenyl)-2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875334
2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 135994226
N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135950700
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-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 86261442
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
N-(2-ethylphenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649966
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-(2-methyl-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627698
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 121066878
N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 30804051

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide (CID 135878636) is 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide is CCc1nc2n(n1)[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2.
What is the InChIKey of 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is JEJLXPHCFSUNPE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N6O4/c1-3-12-17-15-18-14(23)11(20(15)19-12)7-13(22)16-10-6-9(21(24)25)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3,(H,16,22)(H,17,18,19,23)/t11-/m1/s1.
What are the key properties of 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide?
2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 344.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 135878636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).