N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine

C6H9F3N4 — CID 112596552

IUPACN,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(CC(F)(F)F)n1C
InChIInChI=1S/C6H9F3N4/c1-10-5-12-11-4(13(5)2)3-6(7,8)9/h3H2,1-2H3,(H,10,12)
InChIKeyZVVKATBTBJPAEY-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.96
Rot. Bonds2

About N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine (PubChem CID 112596552) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
PubChem CID112596552
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC NameN,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(CC(F)(F)F)n1C
InChIInChI=1S/C6H9F3N4/c1-10-5-12-11-4(13(5)2)3-6(7,8)9/h3H2,1-2H3,(H,10,12)
InChIKeyZVVKATBTBJPAEY-UHFFFAOYSA-N
XLogP0.96
TPSA42.74 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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-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 N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine (CID 112596552) is N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine is CNc1nnc(CC(F)(F)F)n1C.
What is the InChIKey of N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
The InChIKey is ZVVKATBTBJPAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-10-5-12-11-4(13(5)2)3-6(7,8)9/h3H2,1-2H3,(H,10,12).
What are the key properties of N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine has a molecular weight of 194.16 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 N,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).