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

C7H11F3N4 — CID 79542449

IUPAC5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine
SMILESCC(C)c1c(N)nnn1CC(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-4(2)5-6(11)12-13-14(5)3-7(8,9)10/h4H,3,11H2,1-2H3
InChIKeyBQLHNQDTOFAEJD-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.55
Rot. Bonds2

About 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine

5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine (PubChem CID 79542449) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine
PubChem CID79542449
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine
SMILESCC(C)c1c(N)nnn1CC(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-4(2)5-6(11)12-13-14(5)3-7(8,9)10/h4H,3,11H2,1-2H3
InChIKeyBQLHNQDTOFAEJD-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine?
The IUPAC name of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine (CID 79542449) is 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine.
What is the SMILES notation for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine?
The canonical SMILES for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine is CC(C)c1c(N)nnn1CC(F)(F)F.
What is the InChIKey of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine?
The InChIKey is BQLHNQDTOFAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-4(2)5-6(11)12-13-14(5)3-7(8,9)10/h4H,3,11H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine?
5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine has a molecular weight of 208.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine is sourced from PubChem (CID 79542449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).