N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

C21H15ClF3N5O3 — CID 50844935

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nc23)cc1
InChIInChI=1S/C21H15ClF3N5O3/c1-12-2-5-14(6-3-12)33-19-18-28-30(20(32)29(18)9-8-26-19)11-17(31)27-16-10-13(21(23,24)25)4-7-15(16)22/h2-10H,11H2,1H3,(H,27,31)
InChIKeySFRZOFAAFKKMCJ-UHFFFAOYSA-N
MW477.83 g/mol
LogP4.30
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (PubChem CID 50844935) has the molecular formula C21H15ClF3N5O3 and a molecular weight of 477.83 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
PubChem CID50844935
Molecular FormulaC21H15ClF3N5O3
Molecular Weight477.83 g/mol
Exact Mass477.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nc23)cc1
InChIInChI=1S/C21H15ClF3N5O3/c1-12-2-5-14(6-3-12)33-19-18-28-30(20(32)29(18)9-8-26-19)11-17(31)27-16-10-13(21(23,24)25)4-7-15(16)22/h2-10H,11H2,1H3,(H,27,31)
InChIKeySFRZOFAAFKKMCJ-UHFFFAOYSA-N
XLogP4.30
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 95919372
N-(2-bromo-4-methylphenyl)-2-(3-oxo-8-phenoxy-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 46397328
N-(3-chloro-2-fluorophenyl)-2-[8-(2-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141859
N-(3-chloro-2-methylphenyl)-2-[8-(2-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141863
N-(3-chloro-4-methylphenyl)-2-[8-(3-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141844
N-(3-chlorophenyl)-2-[8-(3-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141837
2-[8-(3,5-dimethylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53141910
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-7-(4-methylphenyl)-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906021
N-(3-chloro-4-methoxyphenyl)-2-[8-(2-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141865
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 46360908

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (CID 50844935) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nc23)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The InChIKey is SFRZOFAAFKKMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O3/c1-12-2-5-14(6-3-12)33-19-18-28-30(20(32)29(18)9-8-26-19)11-17(31)27-16-10-13(21(23,24)25)4-7-15(16)22/h2-10H,11H2,1H3,(H,27,31).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide has a molecular weight of 477.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 50844935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).