3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

C6H6ClF3N4 — CID 115000354

IUPAC3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCN(CC(F)(F)F)c1cnnc(Cl)n1
InChIInChI=1S/C6H6ClF3N4/c1-14(3-6(8,9)10)4-2-11-13-5(7)12-4/h2H,3H2,1H3
InChIKeyTZJFOINZCXIOSY-UHFFFAOYSA-N
MW226.59 g/mol
LogP1.52
Rot. Bonds2

About 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 115000354) has the molecular formula C6H6ClF3N4 and a molecular weight of 226.59 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
PubChem CID115000354
Molecular FormulaC6H6ClF3N4
Molecular Weight226.59 g/mol
Exact Mass226.02
IUPAC Name3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCN(CC(F)(F)F)c1cnnc(Cl)n1
InChIInChI=1S/C6H6ClF3N4/c1-14(3-6(8,9)10)4-2-11-13-5(7)12-4/h2H,3H2,1H3
InChIKeyTZJFOINZCXIOSY-UHFFFAOYSA-N
XLogP1.52
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.59
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (CID 115000354) is 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is CN(CC(F)(F)F)c1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is TZJFOINZCXIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N4/c1-14(3-6(8,9)10)4-2-11-13-5(7)12-4/h2H,3H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 226.59 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115000354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).