2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C15H14ClN5O2 — CID 23607370

IUPAC2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc2nccc(C)n2n1
InChIInChI=1S/C15H14ClN5O2/c1-9-7-11(16)3-4-12(9)23-8-13(22)18-14-19-15-17-6-5-10(2)21(15)20-14/h3-7H,8H2,1-2H3,(H,18,20,22)
InChIKeyBTPRYNKMCKZMAY-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 23607370) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID23607370
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc2nccc(C)n2n1
InChIInChI=1S/C15H14ClN5O2/c1-9-7-11(16)3-4-12(9)23-8-13(22)18-14-19-15-17-6-5-10(2)21(15)20-14/h3-7H,8H2,1-2H3,(H,18,20,22)
InChIKeyBTPRYNKMCKZMAY-UHFFFAOYSA-N
XLogP2.41
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3502326
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921139
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 720861
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 78778333
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55856249
2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 7614464

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 23607370) is 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1nc2nccc(C)n2n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is BTPRYNKMCKZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-9-7-11(16)3-4-12(9)23-8-13(22)18-14-19-15-17-6-5-10(2)21(15)20-14/h3-7H,8H2,1-2H3,(H,18,20,22).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 331.76 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 23607370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).