5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine

C8H14F2N4 — CID 79547738

IUPAC5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CC(F)F
InChIInChI=1S/C8H14F2N4/c1-8(2,3)6-7(11)12-13-14(6)4-5(9)10/h5H,4,11H2,1-3H3
InChIKeyABTKFDCBRICUIU-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.42
Rot. Bonds2

About 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine

5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine (PubChem CID 79547738) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine
PubChem CID79547738
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CC(F)F
InChIInChI=1S/C8H14F2N4/c1-8(2,3)6-7(11)12-13-14(6)4-5(9)10/h5H,4,11H2,1-3H3
InChIKeyABTKFDCBRICUIU-UHFFFAOYSA-N
XLogP1.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine (CID 79547738) is 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine is CC(C)(C)c1c(N)nnn1CC(F)F.
What is the InChIKey of 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine?
The InChIKey is ABTKFDCBRICUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-8(2,3)6-7(11)12-13-14(6)4-5(9)10/h5H,4,11H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine?
5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine has a molecular weight of 204.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2,2-difluoroethyl)triazol-4-amine is sourced from PubChem (CID 79547738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).