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

C11H12N4O3 — CID 136849862

IUPACN-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c(=O)[nH]2)cc1
InChIInChI=1S/C11H12N4O3/c1-15-11(17)13-9(14-15)10(16)12-7-3-5-8(18-2)6-4-7/h3-6H,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyOJIIPGVJQWUATJ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.37
Rot. Bonds3

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

N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849862) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849862
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c(=O)[nH]2)cc1
InChIInChI=1S/C11H12N4O3/c1-15-11(17)13-9(14-15)10(16)12-7-3-5-8(18-2)6-4-7/h3-6H,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyOJIIPGVJQWUATJ-UHFFFAOYSA-N
XLogP0.37
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 136849882
N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147299
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 154693169
1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247965

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 136849862) is N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is COc1ccc(NC(=O)c2nn(C)c(=O)[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is OJIIPGVJQWUATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-15-11(17)13-9(14-15)10(16)12-7-3-5-8(18-2)6-4-7/h3-6H,1-2H3,(H,12,16)(H,13,14,17).
What are the key properties of N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).