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

C5H4Cl2F2N4 — CID 115408234

IUPAC3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine
SMILESFC(F)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H4Cl2F2N4/c6-3-4(10-1-2(8)9)11-5(7)13-12-3/h2H,1H2,(H,10,11,13)
InChIKeyGTTGQZNNZKFPGU-UHFFFAOYSA-N
MW229.02 g/mol
LogP1.86
Rot. Bonds3

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

3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 115408234) has the molecular formula C5H4Cl2F2N4 and a molecular weight of 229.02 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine
PubChem CID115408234
Molecular FormulaC5H4Cl2F2N4
Molecular Weight229.02 g/mol
Exact Mass227.98
IUPAC Name3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine
SMILESFC(F)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H4Cl2F2N4/c6-3-4(10-1-2(8)9)11-5(7)13-12-3/h2H,1H2,(H,10,11,13)
InChIKeyGTTGQZNNZKFPGU-UHFFFAOYSA-N
XLogP1.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-N-[2-(3,3,3-trifluoropropylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 118190556
3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine
CID 13073052
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81035504
3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036095
3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036135
3,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-5-amine
CID 81036157
3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036533
3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036745
3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036746
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
3,6-Dichloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazine
CID 81037814

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine (CID 115408234) is 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine is FC(F)CNc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is GTTGQZNNZKFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2F2N4/c6-3-4(10-1-2(8)9)11-5(7)13-12-3/h2H,1H2,(H,10,11,13).
What are the key properties of 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 229.02 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,2-difluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115408234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).