2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine

C7H11F3N4 — CID 61347471

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESCc1nc(C)n(C(CN)C(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c1-4-12-5(2)14(13-4)6(3-11)7(8,9)10/h6H,3,11H2,1-2H3
InChIKeyLFJLBSZMKYHDEM-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.96
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 61347471) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID61347471
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESCc1nc(C)n(C(CN)C(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c1-4-12-5(2)14(13-4)6(3-11)7(8,9)10/h6H,3,11H2,1-2H3
InChIKeyLFJLBSZMKYHDEM-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine (CID 61347471) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine is Cc1nc(C)n(C(CN)C(F)(F)F)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is LFJLBSZMKYHDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-4-12-5(2)14(13-4)6(3-11)7(8,9)10/h6H,3,11H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 208.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 61347471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).