2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

C12H14N4O2 — CID 78927640

IUPAC2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C12H14N4O2/c1-8-13-12(16-15-8)14-11(17)7-9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyLASXITAIQVWFEI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.30
Rot. Bonds4

About 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 78927640) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID78927640
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C12H14N4O2/c1-8-13-12(16-15-8)14-11(17)7-9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyLASXITAIQVWFEI-UHFFFAOYSA-N
XLogP1.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927767
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 112687368
2-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927542
2-(4-aminophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 110472728
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methoxyphenyl)acetamide
CID 112697113
3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927671
2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 47235328
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (CID 78927640) is 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is COc1ccccc1CC(=O)Nc1n[nH]c(C)n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is LASXITAIQVWFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-13-12(16-15-8)14-11(17)7-9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 78927640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).