5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine

C6H9F3N4 — CID 79542212

IUPAC5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
SMILESCc1c(N)nnn1CCC(F)(F)F
InChIInChI=1S/C6H9F3N4/c1-4-5(10)11-12-13(4)3-2-6(7,8)9/h2-3,10H2,1H3
InChIKeyGISQIHPLQNWLIR-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.12
Rot. Bonds2

About 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine

5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine (PubChem CID 79542212) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
PubChem CID79542212
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
SMILESCc1c(N)nnn1CCC(F)(F)F
InChIInChI=1S/C6H9F3N4/c1-4-5(10)11-12-13(4)3-2-6(7,8)9/h2-3,10H2,1H3
InChIKeyGISQIHPLQNWLIR-UHFFFAOYSA-N
XLogP1.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The IUPAC name of 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine (CID 79542212) is 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine.
What is the SMILES notation for 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The canonical SMILES for 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine is Cc1c(N)nnn1CCC(F)(F)F.
What is the InChIKey of 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The InChIKey is GISQIHPLQNWLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-4-5(10)11-12-13(4)3-2-6(7,8)9/h2-3,10H2,1H3.
What are the key properties of 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine has a molecular weight of 194.16 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine is sourced from PubChem (CID 79542212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).