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

C12H14N4O — CID 110691729

IUPACN-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1n[nH]nc1C
InChIInChI=1S/C12H14N4O/c1-7-5-4-6-8(2)10(7)13-12(17)11-9(3)14-16-15-11/h4-6H,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyZCBFPSKJPYLIMM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.98
Rot. Bonds2

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

N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide (PubChem CID 110691729) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide
PubChem CID110691729
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1n[nH]nc1C
InChIInChI=1S/C12H14N4O/c1-7-5-4-6-8(2)10(7)13-12(17)11-9(3)14-16-15-11/h4-6H,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyZCBFPSKJPYLIMM-UHFFFAOYSA-N
XLogP1.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
CID 110691737
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397568
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267877
N-(2,6-dimethylphenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110857573
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide (CID 110691729) is N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1n[nH]nc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is ZCBFPSKJPYLIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-5-4-6-8(2)10(7)13-12(17)11-9(3)14-16-15-11/h4-6H,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide?
N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110691729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).