N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine

C11H15F3N6 — CID 126796372

IUPACN-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
SMILESCN(Cc1cn(C)nn1)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C11H15F3N6/c1-18(5-9-6-19(2)17-16-9)7-10-15-3-4-20(10)8-11(12,13)14/h3-4,6H,5,7-8H2,1-2H3
InChIKeyLMFALUUKCSUFKL-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.21
Rot. Bonds5

About N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine

N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine (PubChem CID 126796372) has the molecular formula C11H15F3N6 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
PubChem CID126796372
Molecular FormulaC11H15F3N6
Molecular Weight288.28 g/mol
Exact Mass288.13
IUPAC NameN-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
SMILESCN(Cc1cn(C)nn1)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C11H15F3N6/c1-18(5-9-6-19(2)17-16-9)7-10-15-3-4-20(10)8-11(12,13)14/h3-4,6H,5,7-8H2,1-2H3
InChIKeyLMFALUUKCSUFKL-UHFFFAOYSA-N
XLogP1.21
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine (CID 126796372) is N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine is CN(Cc1cn(C)nn1)Cc1nccn1CC(F)(F)F.
What is the InChIKey of N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The InChIKey is LMFALUUKCSUFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6/c1-18(5-9-6-19(2)17-16-9)7-10-15-3-4-20(10)8-11(12,13)14/h3-4,6H,5,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine has a molecular weight of 288.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 126796372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).