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

C9H15F3N4O — CID 103216250

IUPAC1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nncc1C(N)COCC(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-2-3-16-8(4-14-15-16)7(13)5-17-6-9(10,11)12/h4,7H,2-3,5-6,13H2,1H3
InChIKeyDWFHIPCNVCMAOS-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.27
Rot. Bonds6

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

1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216250) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216250
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nncc1C(N)COCC(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-2-3-16-8(4-14-15-16)7(13)5-17-6-9(10,11)12/h4,7H,2-3,5-6,13H2,1H3
InChIKeyDWFHIPCNVCMAOS-UHFFFAOYSA-N
XLogP1.27
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216250) is 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCCn1nncc1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is DWFHIPCNVCMAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c1-2-3-16-8(4-14-15-16)7(13)5-17-6-9(10,11)12/h4,7H,2-3,5-6,13H2,1H3.
What are the key properties of 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 252.24 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).