5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide

C13H16N4O — CID 110691737

IUPAC5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2n[nH]nc2C)c(C)c1
InChIInChI=1S/C13H16N4O/c1-7-5-8(2)11(9(3)6-7)14-13(18)12-10(4)15-17-16-12/h5-6H,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyJXJAUNBCOUNJJW-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.29
Rot. Bonds2

About 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide

5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide (PubChem CID 110691737) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
PubChem CID110691737
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2n[nH]nc2C)c(C)c1
InChIInChI=1S/C13H16N4O/c1-7-5-8(2)11(9(3)6-7)14-13(18)12-10(4)15-17-16-12/h5-6H,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyJXJAUNBCOUNJJW-UHFFFAOYSA-N
XLogP2.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691729
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79321753
N-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide
CID 110858219
5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 3073011
6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide
CID 136666350
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide (CID 110691737) is 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2n[nH]nc2C)c(C)c1.
What is the InChIKey of 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is JXJAUNBCOUNJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-5-8(2)11(9(3)6-7)14-13(18)12-10(4)15-17-16-12/h5-6H,1-4H3,(H,14,18)(H,15,16,17).
What are the key properties of 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide?
5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110691737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).