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

C14H14N6O3 — CID 135635979

IUPACN-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3ncnn32)cc1
InChIInChI=1S/C14H14N6O3/c1-8(21)17-9-2-4-10(5-3-9)18-12(22)6-11-13(23)19-14-15-7-16-20(11)14/h2-5,7,11H,6H2,1H3,(H,17,21)(H,18,22)(H,15,16,19,23)
InChIKeySUGKGNFTALIJMH-UHFFFAOYSA-N
MW314.31 g/mol
LogP0.76
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (PubChem CID 135635979) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
PubChem CID135635979
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC NameN-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3ncnn32)cc1
InChIInChI=1S/C14H14N6O3/c1-8(21)17-9-2-4-10(5-3-9)18-12(22)6-11-13(23)19-14-15-7-16-20(11)14/h2-5,7,11H,6H2,1H3,(H,17,21)(H,18,22)(H,15,16,19,23)
InChIKeySUGKGNFTALIJMH-UHFFFAOYSA-N
XLogP0.76
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135629415
2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135904215
N-(3-chloro-4-methylphenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635991
N-(3,5-dichlorophenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902521
2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 135902161
N-(2-methoxyphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135904030
N-(3-chloro-2-methylphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901864
N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649897
N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901695
N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649956
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-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3160703

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (CID 135635979) is N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is CC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3ncnn32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The InChIKey is SUGKGNFTALIJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-8(21)17-9-2-4-10(5-3-9)18-12(22)6-11-13(23)19-14-15-7-16-20(11)14/h2-5,7,11H,6H2,1H3,(H,17,21)(H,18,22)(H,15,16,19,23).
What are the key properties of N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide has a molecular weight of 314.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is sourced from PubChem (CID 135635979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).