1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide

C11H12N4O3 — CID 175940957

IUPAC1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(N)=O)n(C)c1=O
InChIInChI=1S/C11H12N4O3/c1-14-10(9(12)16)13-15(11(14)17)7-5-3-4-6-8(7)18-2/h3-6H,1-2H3,(H2,12,16)
InChIKeyLYAPZTQCJLLFAW-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.32
Rot. Bonds3

About 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide

1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide (PubChem CID 175940957) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
PubChem CID175940957
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(N)=O)n(C)c1=O
InChIInChI=1S/C11H12N4O3/c1-14-10(9(12)16)13-15(11(14)17)7-5-3-4-6-8(7)18-2/h3-6H,1-2H3,(H2,12,16)
InChIKeyLYAPZTQCJLLFAW-UHFFFAOYSA-N
XLogP-0.32
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109
5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one
CID 82841610
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate
CID 67041372
2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
CID 70783242
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
2-[3-benzyl-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
CID 70742121
methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 63035241
5-tert-butyl-4-chloro-1-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 63033848
1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768648
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide (CID 175940957) is 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide is COc1ccccc1-n1nc(C(N)=O)n(C)c1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide?
The InChIKey is LYAPZTQCJLLFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-14-10(9(12)16)13-15(11(14)17)7-5-3-4-6-8(7)18-2/h3-6H,1-2H3,(H2,12,16).
What are the key properties of 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide?
1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide has a molecular weight of 248.24 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175940957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).