2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C7H11F3N4 — CID 62562425

IUPAC2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)n1cncn1
InChIInChI=1S/C7H11F3N4/c1-6(14-5-12-4-13-14)2-11-3-7(8,9)10/h4-6,11H,2-3H2,1H3
InChIKeyVTYWZZBFPVNRLE-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.99
Rot. Bonds4

About 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62562425) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62562425
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)n1cncn1
InChIInChI=1S/C7H11F3N4/c1-6(14-5-12-4-13-14)2-11-3-7(8,9)10/h4-6,11H,2-3H2,1H3
InChIKeyVTYWZZBFPVNRLE-UHFFFAOYSA-N
XLogP0.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62562425) is 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VTYWZZBFPVNRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-6(14-5-12-4-13-14)2-11-3-7(8,9)10/h4-6,11H,2-3H2,1H3.
What are the key properties of 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 208.19 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62562425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).