3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine

C10H5Cl2F3N4 — CID 13055460

IUPAC3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1cccc(Nc2nc(Cl)nnc2Cl)c1
InChIInChI=1S/C10H5Cl2F3N4/c11-7-8(17-9(12)19-18-7)16-6-3-1-2-5(4-6)10(13,14)15/h1-4H,(H,16,17,19)
InChIKeyQVTLALIQLPRXKK-UHFFFAOYSA-N
MW309.08 g/mol
LogP3.94
Rot. Bonds2

About 3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine

3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (PubChem CID 13055460) has the molecular formula C10H5Cl2F3N4 and a molecular weight of 309.08 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
PubChem CID13055460
Molecular FormulaC10H5Cl2F3N4
Molecular Weight309.08 g/mol
Exact Mass307.98
IUPAC Name3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1cccc(Nc2nc(Cl)nnc2Cl)c1
InChIInChI=1S/C10H5Cl2F3N4/c11-7-8(17-9(12)19-18-7)16-6-3-1-2-5(4-6)10(13,14)15/h1-4H,(H,16,17,19)
InChIKeyQVTLALIQLPRXKK-UHFFFAOYSA-N
XLogP3.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.08
LogP ≤ 53.94
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-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (CID 13055460) is 3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is FC(F)(F)c1cccc(Nc2nc(Cl)nnc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The InChIKey is QVTLALIQLPRXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N4/c11-7-8(17-9(12)19-18-7)16-6-3-1-2-5(4-6)10(13,14)15/h1-4H,(H,16,17,19).
What are the key properties of 3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine has a molecular weight of 309.08 g/mol, XLogP of 3.94, 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-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 13055460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).