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

C9H9F3N6O — CID 171679220

IUPAC5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C9H9F3N6O/c1-4-5(14-3-13-4)6(19)15-8-16-7(9(10,11)12)17-18(8)2/h3H,1-2H3,(H,13,14)(H,15,16,17,19)
InChIKeyUGLDJVDCBLKMQE-UHFFFAOYSA-N
MW274.21 g/mol
LogP1.12
Rot. Bonds2

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

5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide (PubChem CID 171679220) has the molecular formula C9H9F3N6O and a molecular weight of 274.21 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide
PubChem CID171679220
Molecular FormulaC9H9F3N6O
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Name5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C9H9F3N6O/c1-4-5(14-3-13-4)6(19)15-8-16-7(9(10,11)12)17-18(8)2/h3H,1-2H3,(H,13,14)(H,15,16,17,19)
InChIKeyUGLDJVDCBLKMQE-UHFFFAOYSA-N
XLogP1.12
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 155952802
5-N-(4,5-dimethyl-1H-imidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 66623703
2-Propyl-4,6-dihydro-[1,2,4]triazolo[5,1-b]purin-5-one
CID 136484973
2-Ethyl-4,6-dihydro-[1,2,4]triazolo[5,1-b]purin-5-one
CID 136485019
4-methyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-carboxamide
CID 122567019
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]-4-methyl-1H-imidazole-5-carboxamide
CID 122567533
N-[1-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-4-methyl-1H-imidazole-5-carboxamide
CID 124206789
5-methyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
CID 125443934
5-methyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
CID 125443935
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide
CID 125444301
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-methyl-1H-imidazole-4-carboxamide
CID 125444302
N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 125517573

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide (CID 171679220) is 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)Nc1nc(C(F)(F)F)nn1C.
What is the InChIKey of 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide?
The InChIKey is UGLDJVDCBLKMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6O/c1-4-5(14-3-13-4)6(19)15-8-16-7(9(10,11)12)17-18(8)2/h3H,1-2H3,(H,13,14)(H,15,16,17,19).
What are the key properties of 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide?
5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide has a molecular weight of 274.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 171679220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).