3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide

C9H9F3N6O — CID 171679215

IUPAC3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C9H9F3N6O/c1-17-4-13-3-5(17)6(19)14-8-15-7(9(10,11)12)16-18(8)2/h3-4H,1-2H3,(H,14,15,16,19)
InChIKeyKBZRNTZKSQSNTD-UHFFFAOYSA-N
MW274.21 g/mol
LogP0.82
Rot. Bonds2

About 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide

3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide (PubChem CID 171679215) has the molecular formula C9H9F3N6O and a molecular weight of 274.21 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
PubChem CID171679215
Molecular FormulaC9H9F3N6O
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Name3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C9H9F3N6O/c1-17-4-13-3-5(17)6(19)14-8-15-7(9(10,11)12)16-18(8)2/h3-4H,1-2H3,(H,14,15,16,19)
InChIKeyKBZRNTZKSQSNTD-UHFFFAOYSA-N
XLogP0.82
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 171679218
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171679225
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
CID 171679266
2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 91455987
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 171679270
4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 171679272
4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 171679236
N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512452
4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 171679224
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 126796065
N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103510258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide (CID 171679215) is 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide is Cn1cncc1C(=O)Nc1nc(C(F)(F)F)nn1C.
What is the InChIKey of 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide?
The InChIKey is KBZRNTZKSQSNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6O/c1-17-4-13-3-5(17)6(19)14-8-15-7(9(10,11)12)16-18(8)2/h3-4H,1-2H3,(H,14,15,16,19).
What are the key properties of 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide?
3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide has a molecular weight of 274.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 171679215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).