N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride

C6H9ClF3N3 — CID 71283925

IUPACN-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride
SMILESCCNc1ncc(C(F)(F)F)[nH]1.Cl
InChIInChI=1S/C6H8F3N3.ClH/c1-2-10-5-11-3-4(12-5)6(7,8)9;/h3H,2H2,1H3,(H2,10,11,12);1H
InChIKeyMNQVIRWZIQKESZ-UHFFFAOYSA-N
MW215.61 g/mol
LogP2.28
Rot. Bonds2

About N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride

N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride (PubChem CID 71283925) has the molecular formula C6H9ClF3N3 and a molecular weight of 215.61 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride
PubChem CID71283925
Molecular FormulaC6H9ClF3N3
Molecular Weight215.61 g/mol
Exact Mass215.04
IUPAC NameN-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride
SMILESCCNc1ncc(C(F)(F)F)[nH]1.Cl
InChIInChI=1S/C6H8F3N3.ClH/c1-2-10-5-11-3-4(12-5)6(7,8)9;/h3H,2H2,1H3,(H2,10,11,12);1H
InChIKeyMNQVIRWZIQKESZ-UHFFFAOYSA-N
XLogP2.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride (CID 71283925) is N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride is CCNc1ncc(C(F)(F)F)[nH]1.Cl.
What is the InChIKey of N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The InChIKey is MNQVIRWZIQKESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3.ClH/c1-2-10-5-11-3-4(12-5)6(7,8)9;/h3H,2H2,1H3,(H2,10,11,12);1H.
What are the key properties of N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride?
N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride has a molecular weight of 215.61 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 71283925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).