3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine

C7H11F3N4 — CID 62952277

IUPAC3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine
SMILESNCCCc1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c8-7(9,10)4-6-12-5(13-14-6)2-1-3-11/h1-4,11H2,(H,12,13,14)
InChIKeyARDDDILCVFAIJV-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.80
Rot. Bonds4

About 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine

3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine (PubChem CID 62952277) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine
PubChem CID62952277
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine
SMILESNCCCc1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c8-7(9,10)4-6-12-5(13-14-6)2-1-3-11/h1-4,11H2,(H,12,13,14)
InChIKeyARDDDILCVFAIJV-UHFFFAOYSA-N
XLogP0.80
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine (CID 62952277) is 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine is NCCCc1n[nH]c(CC(F)(F)F)n1.
What is the InChIKey of 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine?
The InChIKey is ARDDDILCVFAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c8-7(9,10)4-6-12-5(13-14-6)2-1-3-11/h1-4,11H2,(H,12,13,14).
What are the key properties of 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine?
3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine has a molecular weight of 208.19 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine is sourced from PubChem (CID 62952277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).