5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine

C6H8F3N3 — CID 118319525

IUPAC5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine
SMILESCc1ncn(CC(F)(F)F)c1N
InChIInChI=1S/C6H8F3N3/c1-4-5(10)12(3-11-4)2-6(7,8)9/h3H,2,10H2,1H3
InChIKeyJCHGLTIXZSDUOH-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.34
Rot. Bonds1

About 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine

5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine (PubChem CID 118319525) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine
PubChem CID118319525
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine
SMILESCc1ncn(CC(F)(F)F)c1N
InChIInChI=1S/C6H8F3N3/c1-4-5(10)12(3-11-4)2-6(7,8)9/h3H,2,10H2,1H3
InChIKeyJCHGLTIXZSDUOH-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-1H-imidazol-5-amine
CID 45116671
1,4-dimethyl-1H-imidazol-5-amine hydrochloride
CID 74889882
1H-Imidazole-1-ethanamine, 4,5-dimethyl-, hydrochloride (1:2)
CID 75531085
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202
8-Methyl-1,4-dihydroimidazo[1,5-a][1,3,5]triazin-4-amine
CID 44345302
6,8-Dimethyl-1,4-dihydroimidazo[1,5-a][1,3,5]triazin-4-amine
CID 44345364
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1,4,5-Trimethyl-1H-imidazole
CID 573598
4-amino-1-methyl-1H-imidazole-5-carboselenoamide
CID 6327894
5-Amino-1-methyl-1H-imidazole-4-carboselenoamide
CID 6327958
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
((1,4,5-Trimethyl-1H-imidazol-2-yl)methyl)amine dihydrochloride
CID 75485560

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine?
The IUPAC name of 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine (CID 118319525) is 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine.
What is the SMILES notation for 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine?
The canonical SMILES for 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine is Cc1ncn(CC(F)(F)F)c1N.
What is the InChIKey of 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine?
The InChIKey is JCHGLTIXZSDUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-4-5(10)12(3-11-4)2-6(7,8)9/h3H,2,10H2,1H3.
What are the key properties of 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine?
5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine has a molecular weight of 179.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-amine is sourced from PubChem (CID 118319525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).