4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine

C8H13F3N4 — CID 114995764

IUPAC4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCCN(CC(F)(F)F)c1nc(C)[nH]c1N
InChIInChI=1S/C8H13F3N4/c1-3-15(4-8(9,10)11)7-6(12)13-5(2)14-7/h3-4,12H2,1-2H3,(H,13,14)
InChIKeyQHTTVNBUAQKOLY-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.69
Rot. Bonds3

About 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine

4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (PubChem CID 114995764) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
PubChem CID114995764
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCCN(CC(F)(F)F)c1nc(C)[nH]c1N
InChIInChI=1S/C8H13F3N4/c1-3-15(4-8(9,10)11)7-6(12)13-5(2)14-7/h3-4,12H2,1-2H3,(H,13,14)
InChIKeyQHTTVNBUAQKOLY-UHFFFAOYSA-N
XLogP1.69
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (CID 114995764) is 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is CCN(CC(F)(F)F)c1nc(C)[nH]c1N.
What is the InChIKey of 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The InChIKey is QHTTVNBUAQKOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-3-15(4-8(9,10)11)7-6(12)13-5(2)14-7/h3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine has a molecular weight of 222.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114995764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).