1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine

C7H11F3N4 — CID 79964262

IUPAC1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1n[nH]c(CCC(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c1-4(11)6-12-5(13-14-6)2-3-7(8,9)10/h4H,2-3,11H2,1H3,(H,12,13,14)
InChIKeyJQANGVAAPFJBQC-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.32
Rot. Bonds3

About 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine

1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine (PubChem CID 79964262) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine
PubChem CID79964262
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1n[nH]c(CCC(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c1-4(11)6-12-5(13-14-6)2-3-7(8,9)10/h4H,2-3,11H2,1H3,(H,12,13,14)
InChIKeyJQANGVAAPFJBQC-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine (CID 79964262) is 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine is CC(N)c1n[nH]c(CCC(F)(F)F)n1.
What is the InChIKey of 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is JQANGVAAPFJBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-4(11)6-12-5(13-14-6)2-3-7(8,9)10/h4H,2-3,11H2,1H3,(H,12,13,14).
What are the key properties of 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine?
1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 208.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 79964262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).