5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine

C6H9F3N4 — CID 68593433

IUPAC5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine
SMILESNc1ncc(CNCC(F)(F)F)[nH]1
InChIInChI=1S/C6H9F3N4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h2,11H,1,3H2,(H3,10,12,13)
InChIKeyXJZPFTJAUFNZDU-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.64
Rot. Bonds3

About 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine

5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine (PubChem CID 68593433) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine
PubChem CID68593433
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine
SMILESNc1ncc(CNCC(F)(F)F)[nH]1
InChIInChI=1S/C6H9F3N4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h2,11H,1,3H2,(H3,10,12,13)
InChIKeyXJZPFTJAUFNZDU-UHFFFAOYSA-N
XLogP0.64
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
2-Ethyl-4-methylimidazole
CID 70262
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
2,4-Dimethylimidazole
CID 70259
4(5)-(Trifluoromethyl)imidazole
CID 585891
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
2-Iodo-4-methyl-1H-imidazole
CID 322560
4-Methyl-2-propyl-1H-imidazole
CID 12199456
5-methyl-1H-imidazol-2-amine
CID 322559
1-(1H-Imidazol-5-yl)methanamine
CID 12408174
Histamine, 2-trifluoromethyl-
CID 591273

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine (CID 68593433) is 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine is Nc1ncc(CNCC(F)(F)F)[nH]1.
What is the InChIKey of 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine?
The InChIKey is XJZPFTJAUFNZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c7-6(8,9)3-11-1-4-2-12-5(10)13-4/h2,11H,1,3H2,(H3,10,12,13).
What are the key properties of 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine?
5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine has a molecular weight of 194.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 68593433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).