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

C9H4Cl3FN4 — CID 107530580

IUPAC3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccc(Cl)c(Nc2nc(Cl)nnc2Cl)c1
InChIInChI=1S/C9H4Cl3FN4/c10-5-2-1-4(13)3-6(5)14-8-7(11)16-17-9(12)15-8/h1-3H,(H,14,15,17)
InChIKeyVFFLEOAKWKZBPB-UHFFFAOYSA-N
MW293.52 g/mol
LogP3.71
Rot. Bonds2

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

3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 107530580) has the molecular formula C9H4Cl3FN4 and a molecular weight of 293.52 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
PubChem CID107530580
Molecular FormulaC9H4Cl3FN4
Molecular Weight293.52 g/mol
Exact Mass291.95
IUPAC Name3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccc(Cl)c(Nc2nc(Cl)nnc2Cl)c1
InChIInChI=1S/C9H4Cl3FN4/c10-5-2-1-4(13)3-6(5)14-8-7(11)16-17-9(12)15-8/h1-3H,(H,14,15,17)
InChIKeyVFFLEOAKWKZBPB-UHFFFAOYSA-N
XLogP3.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine (CID 107530580) is 3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine is Fc1ccc(Cl)c(Nc2nc(Cl)nnc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is VFFLEOAKWKZBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3FN4/c10-5-2-1-4(13)3-6(5)14-8-7(11)16-17-9(12)15-8/h1-3H,(H,14,15,17).
What are the key properties of 3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 293.52 g/mol, XLogP of 3.71, 2 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-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 107530580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).