3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine

C7H2Cl2F3N5 — CID 81036576

IUPAC3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine
SMILESFC(F)(F)c1ccn(-c2nc(Cl)nnc2Cl)n1
InChIInChI=1S/C7H2Cl2F3N5/c8-4-5(13-6(9)15-14-4)17-2-1-3(16-17)7(10,11)12/h1-2H
InChIKeyXIAUPIOPTJGYAV-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.38
Rot. Bonds1

About 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine

3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine (PubChem CID 81036576) has the molecular formula C7H2Cl2F3N5 and a molecular weight of 284.03 g/mol. Its IUPAC name is 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine
PubChem CID81036576
Molecular FormulaC7H2Cl2F3N5
Molecular Weight284.03 g/mol
Exact Mass282.96
IUPAC Name3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine
SMILESFC(F)(F)c1ccn(-c2nc(Cl)nnc2Cl)n1
InChIInChI=1S/C7H2Cl2F3N5/c8-4-5(13-6(9)15-14-4)17-2-1-3(16-17)7(10,11)12/h1-2H
InChIKeyXIAUPIOPTJGYAV-UHFFFAOYSA-N
XLogP2.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine (CID 81036576) is 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine is FC(F)(F)c1ccn(-c2nc(Cl)nnc2Cl)n1.
What is the InChIKey of 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine?
The InChIKey is XIAUPIOPTJGYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3N5/c8-4-5(13-6(9)15-14-4)17-2-1-3(16-17)7(10,11)12/h1-2H.
What are the key properties of 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine?
3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine has a molecular weight of 284.03 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine is sourced from PubChem (CID 81036576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).