3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C10H12F3N5 — CID 72848835

IUPAC3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(Cn2ccnc2C)n(CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N5/c1-7-15-9(5-17-4-3-14-8(17)2)18(16-7)6-10(11,12)13/h3-4H,5-6H2,1-2H3
InChIKeyRYOCLFYQGBZHNL-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.70
Rot. Bonds3

About 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 72848835) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID72848835
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(Cn2ccnc2C)n(CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N5/c1-7-15-9(5-17-4-3-14-8(17)2)18(16-7)6-10(11,12)13/h3-4H,5-6H2,1-2H3
InChIKeyRYOCLFYQGBZHNL-UHFFFAOYSA-N
XLogP1.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1'-Dimethyl-1H,1'H-2,2'-biimidazole
CID 10123778
3,5-bis(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-4-amine
CID 729477
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53590281
1-propyl-1'-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H,1'H-2,2'-biimidazole
CID 70750230
1H-Imidazole, 1,1'-methylenebis[2-methyl-
CID 9855617
1,1'-Divinyl-2,2'-biimidazolyl
CID 12586789
2-(1,3-Dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium
CID 91502560
5-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-ethyltetrazole
CID 40087691
4-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-4H-1,2,4-triazole
CID 50965463
3-ethyl-7-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53562932
1-ethyl-5-{1-[2-(1H-imidazol-1-yl)ethyl]-1H-imidazol-2-yl}-1H-1,2,4-triazole
CID 56877055
5-Ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole
CID 71879432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 72848835) is 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is Cc1nc(Cn2ccnc2C)n(CC(F)(F)F)n1.
What is the InChIKey of 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is RYOCLFYQGBZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-7-15-9(5-17-4-3-14-8(17)2)18(16-7)6-10(11,12)13/h3-4H,5-6H2,1-2H3.
What are the key properties of 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 259.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylimidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 72848835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).