1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine

C4H5F3N4 — CID 19622865

IUPAC1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CC(F)(F)F)n1
InChIInChI=1S/C4H5F3N4/c5-4(6,7)1-11-2-9-3(8)10-11/h2H,1H2,(H2,8,10)
InChIKeyZOARWOHUVZDDNB-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.42
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine

1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine (PubChem CID 19622865) has the molecular formula C4H5F3N4 and a molecular weight of 166.11 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
PubChem CID19622865
Molecular FormulaC4H5F3N4
Molecular Weight166.11 g/mol
Exact Mass166.05
IUPAC Name1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CC(F)(F)F)n1
InChIInChI=1S/C4H5F3N4/c5-4(6,7)1-11-2-9-3(8)10-11/h2H,1H2,(H2,8,10)
InChIKeyZOARWOHUVZDDNB-UHFFFAOYSA-N
XLogP0.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine (CID 19622865) is 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine is Nc1ncn(CC(F)(F)F)n1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The InChIKey is ZOARWOHUVZDDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N4/c5-4(6,7)1-11-2-9-3(8)10-11/h2H,1H2,(H2,8,10).
What are the key properties of 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine has a molecular weight of 166.11 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 19622865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).