1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine

C7H11F3N4 — CID 165481473

IUPAC1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine
SMILESCC(Cn1cc(N)nn1)CC(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-5(2-7(8,9)10)3-14-4-6(11)12-13-14/h4-5H,2-3,11H2,1H3
InChIKeyVPJZPFNBGOUQSJ-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.45
Rot. Bonds3

About 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine

1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine (PubChem CID 165481473) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine.

Molecular Properties

Compound Name1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine
PubChem CID165481473
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine
SMILESCC(Cn1cc(N)nn1)CC(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-5(2-7(8,9)10)3-14-4-6(11)12-13-14/h4-5H,2-3,11H2,1H3
InChIKeyVPJZPFNBGOUQSJ-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine?
The IUPAC name of 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine (CID 165481473) is 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine.
What is the SMILES notation for 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine?
The canonical SMILES for 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine is CC(Cn1cc(N)nn1)CC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine?
The InChIKey is VPJZPFNBGOUQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-5(2-7(8,9)10)3-14-4-6(11)12-13-14/h4-5H,2-3,11H2,1H3.
What are the key properties of 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine?
1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine has a molecular weight of 208.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluoro-2-methylbutyl)triazol-4-amine is sourced from PubChem (CID 165481473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).