4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine

C6F6N6 — CID 12927220

IUPAC4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine
SMILESFC1=NN=C(F)C(F)(F)N1c1nc(F)nnc1F
InChIInChI=1S/C6F6N6/c7-1-2(13-4(9)16-14-1)18-5(10)17-15-3(8)6(18,11)12
InChIKeyKVNBRGDOTXBVJQ-UHFFFAOYSA-N
MW270.10 g/mol
LogP1.17
Rot. Bonds1

About 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine

4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine (PubChem CID 12927220) has the molecular formula C6F6N6 and a molecular weight of 270.10 g/mol. Its IUPAC name is 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine.

Molecular Properties

Compound Name4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine
PubChem CID12927220
Molecular FormulaC6F6N6
Molecular Weight270.10 g/mol
Exact Mass270.01
IUPAC Name4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine
SMILESFC1=NN=C(F)C(F)(F)N1c1nc(F)nnc1F
InChIInChI=1S/C6F6N6/c7-1-2(13-4(9)16-14-1)18-5(10)17-15-3(8)6(18,11)12
InChIKeyKVNBRGDOTXBVJQ-UHFFFAOYSA-N
XLogP1.17
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine?
The IUPAC name of 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine (CID 12927220) is 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine.
What is the SMILES notation for 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine?
The canonical SMILES for 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine is FC1=NN=C(F)C(F)(F)N1c1nc(F)nnc1F.
What is the InChIKey of 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine?
The InChIKey is KVNBRGDOTXBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F6N6/c7-1-2(13-4(9)16-14-1)18-5(10)17-15-3(8)6(18,11)12.
What are the key properties of 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine?
4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine has a molecular weight of 270.10 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-difluoro-1,2,4-triazin-5-yl)-3,5,5,6-tetrafluoro-1,2,4-triazine is sourced from PubChem (CID 12927220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).