3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

C6H5Cl2F3N4 — CID 81036095

IUPAC3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCN(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C6H5Cl2F3N4/c1-15(2-6(9,10)11)4-3(7)13-14-5(8)12-4/h2H2,1H3
InChIKeyITEOZNOFPWWVOC-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.18
Rot. Bonds2

About 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 81036095) has the molecular formula C6H5Cl2F3N4 and a molecular weight of 261.03 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
PubChem CID81036095
Molecular FormulaC6H5Cl2F3N4
Molecular Weight261.03 g/mol
Exact Mass259.98
IUPAC Name3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCN(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C6H5Cl2F3N4/c1-15(2-6(9,10)11)4-3(7)13-14-5(8)12-4/h2H2,1H3
InChIKeyITEOZNOFPWWVOC-UHFFFAOYSA-N
XLogP2.18
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (CID 81036095) is 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is CN(CC(F)(F)F)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is ITEOZNOFPWWVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2F3N4/c1-15(2-6(9,10)11)4-3(7)13-14-5(8)12-4/h2H2,1H3.
What are the key properties of 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 261.03 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).