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

C16H19N5O4 — CID 135649937

IUPACN-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESCCc1nc2n(n1)C(CC(=O)Nc1cc(OC)ccc1OC)C(=O)N2
InChIInChI=1S/C16H19N5O4/c1-4-13-18-16-19-15(23)11(21(16)20-13)8-14(22)17-10-7-9(24-2)5-6-12(10)25-3/h5-7,11H,4,8H2,1-3H3,(H,17,22)(H,18,19,20,23)
InChIKeyCETLAJQYTSSRTQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.38
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (PubChem CID 135649937) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
PubChem CID135649937
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESCCc1nc2n(n1)C(CC(=O)Nc1cc(OC)ccc1OC)C(=O)N2
InChIInChI=1S/C16H19N5O4/c1-4-13-18-16-19-15(23)11(21(16)20-13)8-14(22)17-10-7-9(24-2)5-6-12(10)25-3/h5-7,11H,4,8H2,1-3H3,(H,17,22)(H,18,19,20,23)
InChIKeyCETLAJQYTSSRTQ-UHFFFAOYSA-N
XLogP1.38
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650076
2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 135650045
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
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-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135629444
N-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650065
N-(4-fluorophenyl)-2-[(6S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902818
N-(2-methoxyphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135904030
N-(4-acetylphenyl)-2-[(6S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135950729
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650071
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-dimethoxyphenyl)-2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 2140715

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (CID 135649937) is N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is CCc1nc2n(n1)C(CC(=O)Nc1cc(OC)ccc1OC)C(=O)N2.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The InChIKey is CETLAJQYTSSRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-4-13-18-16-19-15(23)11(21(16)20-13)8-14(22)17-10-7-9(24-2)5-6-12(10)25-3/h5-7,11H,4,8H2,1-3H3,(H,17,22)(H,18,19,20,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide has a molecular weight of 345.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is sourced from PubChem (CID 135649937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).