1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C7H11F3N4O — CID 103216319

IUPAC1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCn1nncc1C(N)COCC(F)(F)F
InChIInChI=1S/C7H11F3N4O/c1-14-6(2-12-13-14)5(11)3-15-4-7(8,9)10/h2,5H,3-4,11H2,1H3
InChIKeyVNIRCRUUZPJHOA-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.39
Rot. Bonds4

About 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216319) has the molecular formula C7H11F3N4O and a molecular weight of 224.19 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216319
Molecular FormulaC7H11F3N4O
Molecular Weight224.19 g/mol
Exact Mass224.09
IUPAC Name1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCn1nncc1C(N)COCC(F)(F)F
InChIInChI=1S/C7H11F3N4O/c1-14-6(2-12-13-14)5(11)3-15-4-7(8,9)10/h2,5H,3-4,11H2,1H3
InChIKeyVNIRCRUUZPJHOA-UHFFFAOYSA-N
XLogP0.39
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216319) is 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is Cn1nncc1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VNIRCRUUZPJHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O/c1-14-6(2-12-13-14)5(11)3-15-4-7(8,9)10/h2,5H,3-4,11H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 224.19 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).