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

C7H8ClF3N4 — CID 115000530

IUPAC3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCCN(CC(F)(F)F)c1cnnc(Cl)n1
InChIInChI=1S/C7H8ClF3N4/c1-2-15(4-7(9,10)11)5-3-12-14-6(8)13-5/h3H,2,4H2,1H3
InChIKeyOVMMLVAAHOMBFP-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.91
Rot. Bonds3

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

3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 115000530) has the molecular formula C7H8ClF3N4 and a molecular weight of 240.62 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
PubChem CID115000530
Molecular FormulaC7H8ClF3N4
Molecular Weight240.62 g/mol
Exact Mass240.04
IUPAC Name3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCCN(CC(F)(F)F)c1cnnc(Cl)n1
InChIInChI=1S/C7H8ClF3N4/c1-2-15(4-7(9,10)11)5-3-12-14-6(8)13-5/h3H,2,4H2,1H3
InChIKeyOVMMLVAAHOMBFP-UHFFFAOYSA-N
XLogP1.91
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (CID 115000530) is 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is CCN(CC(F)(F)F)c1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is OVMMLVAAHOMBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N4/c1-2-15(4-7(9,10)11)5-3-12-14-6(8)13-5/h3H,2,4H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 240.62 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115000530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).