N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C10H9F3N4 — CID 64530498

IUPACN-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCc2ncc[nH]2)nc1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)7-1-2-8(16-5-7)17-6-9-14-3-4-15-9/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKeyNZZQJYKLKUQPSG-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.44
Rot. Bonds3

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

N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 64530498) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID64530498
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC NameN-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCc2ncc[nH]2)nc1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)7-1-2-8(16-5-7)17-6-9-14-3-4-15-9/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKeyNZZQJYKLKUQPSG-UHFFFAOYSA-N
XLogP2.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 64530498) is N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCc2ncc[nH]2)nc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NZZQJYKLKUQPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)7-1-2-8(16-5-7)17-6-9-14-3-4-15-9/h1-5H,6H2,(H,14,15)(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 242.20 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 64530498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).