N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

C11H11F3N4 — CID 60632035

IUPACN-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCn2ccnc2)nc1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-1-2-10(17-7-9)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H,16,17)
InChIKeyMGYHHBFJHUTJCG-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.41
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60632035) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60632035
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCn2ccnc2)nc1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-1-2-10(17-7-9)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H,16,17)
InChIKeyMGYHHBFJHUTJCG-UHFFFAOYSA-N
XLogP2.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022
N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43600453
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775475
N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63295527
N-(2-imidazol-1-ylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955202
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767357
4-(2-imidazol-1-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709977
N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66481735
N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 75522198

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 60632035) is N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCCn2ccnc2)nc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MGYHHBFJHUTJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)9-1-2-10(17-7-9)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H,16,17).
What are the key properties of N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 256.23 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60632035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).