N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide

C12H14N4O2 — CID 86789676

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide
SMILESCc1nc(NC(=O)Cc2ccc(O)cc2)n(C)n1
InChIInChI=1S/C12H14N4O2/c1-8-13-12(16(2)15-8)14-11(18)7-9-3-5-10(17)6-4-9/h3-6,17H,7H2,1-2H3,(H,13,14,15,18)
InChIKeyCLBFOZAUADZQER-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.01
Rot. Bonds3

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide (PubChem CID 86789676) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide
PubChem CID86789676
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide
SMILESCc1nc(NC(=O)Cc2ccc(O)cc2)n(C)n1
InChIInChI=1S/C12H14N4O2/c1-8-13-12(16(2)15-8)14-11(18)7-9-3-5-10(17)6-4-9/h3-6,17H,7H2,1-2H3,(H,13,14,15,18)
InChIKeyCLBFOZAUADZQER-UHFFFAOYSA-N
XLogP1.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide
CID 154796792
N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 86789673
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
N-(3-hydroxy-4-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64794194
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide
CID 18674103
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]urea
CID 99802607
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 122141336
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetamide
CID 67481765
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide (CID 86789676) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide is Cc1nc(NC(=O)Cc2ccc(O)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide?
The InChIKey is CLBFOZAUADZQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-13-12(16(2)15-8)14-11(18)7-9-3-5-10(17)6-4-9/h3-6,17H,7H2,1-2H3,(H,13,14,15,18).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 86789676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).