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

C12H9Cl2N5O2 — CID 135649897

IUPACN-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ncnn21)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N5O2/c13-6-1-2-8(7(14)3-6)17-10(20)4-9-11(21)18-12-15-5-16-19(9)12/h1-3,5,9H,4H2,(H,17,20)(H,15,16,18,21)
InChIKeyMEBRMGQMLJTSCM-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.11
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (PubChem CID 135649897) has the molecular formula C12H9Cl2N5O2 and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
PubChem CID135649897
Molecular FormulaC12H9Cl2N5O2
Molecular Weight326.14 g/mol
Exact Mass325.01
IUPAC NameN-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ncnn21)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N5O2/c13-6-1-2-8(7(14)3-6)17-10(20)4-9-11(21)18-12-15-5-16-19(9)12/h1-3,5,9H,4H2,(H,17,20)(H,15,16,18,21)
InChIKeyMEBRMGQMLJTSCM-UHFFFAOYSA-N
XLogP2.11
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-2-methylphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901864
N-(3-chloro-4-methylphenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635991
N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635979
N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135629415
2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide
CID 135904118
N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901695
N-(2,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649913
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-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875194
N-(2,5-dichlorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650006
N-(2,5-dichlorophenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646857

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide (CID 135649897) is N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is O=C(CC1C(=O)Nc2ncnn21)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
The InChIKey is MEBRMGQMLJTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5O2/c13-6-1-2-8(7(14)3-6)17-10(20)4-9-11(21)18-12-15-5-16-19(9)12/h1-3,5,9H,4H2,(H,17,20)(H,15,16,18,21).
What are the key properties of N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide has a molecular weight of 326.14 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide is sourced from PubChem (CID 135649897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).