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

C12H10BrN5O2 — CID 135629415

IUPACN-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ncnn21)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrN5O2/c13-7-1-3-8(4-2-7)16-10(19)5-9-11(20)17-12-14-6-15-18(9)12/h1-4,6,9H,5H2,(H,16,19)(H,14,15,17,20)
InChIKeyMWPILEQPVUESMD-UHFFFAOYSA-N
MW336.15 g/mol
LogP1.56
Rot. Bonds3

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

N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (PubChem CID 135629415) has the molecular formula C12H10BrN5O2 and a molecular weight of 336.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
PubChem CID135629415
Molecular FormulaC12H10BrN5O2
Molecular Weight336.15 g/mol
Exact Mass335.00
IUPAC NameN-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ncnn21)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrN5O2/c13-7-1-3-8(4-2-7)16-10(19)5-9-11(20)17-12-14-6-15-18(9)12/h1-4,6,9H,5H2,(H,16,19)(H,14,15,17,20)
InChIKeyMWPILEQPVUESMD-UHFFFAOYSA-N
XLogP1.56
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635979
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-(3,5-dichlorophenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902521
N-(3-chloro-4-methylphenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635991
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-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649897
N-(2-methoxyphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135904030
N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901695
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-(4-bromophenyl)-2-[2-ethoxy-4-[(7S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
CID 137129642
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-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135629444

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (CID 135629415) is N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is O=C(CC1C(=O)Nc2ncnn21)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The InChIKey is MWPILEQPVUESMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O2/c13-7-1-3-8(4-2-7)16-10(19)5-9-11(20)17-12-14-6-15-18(9)12/h1-4,6,9H,5H2,(H,16,19)(H,14,15,17,20).
What are the key properties of N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide has a molecular weight of 336.15 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is sourced from PubChem (CID 135629415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).