3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine

C5F8N4 — CID 12633770

IUPAC3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine
SMILESFc1nnc(F)c(N(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C5F8N4/c6-1-2(14-3(7)16-15-1)17(4(8,9)10)5(11,12)13
InChIKeyZYPOIJGGMNQYID-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.00
Rot. Bonds1

About 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine

3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine (PubChem CID 12633770) has the molecular formula C5F8N4 and a molecular weight of 268.07 g/mol. Its IUPAC name is 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine
PubChem CID12633770
Molecular FormulaC5F8N4
Molecular Weight268.07 g/mol
Exact Mass268.00
IUPAC Name3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine
SMILESFc1nnc(F)c(N(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C5F8N4/c6-1-2(14-3(7)16-15-1)17(4(8,9)10)5(11,12)13
InChIKeyZYPOIJGGMNQYID-UHFFFAOYSA-N
XLogP2.00
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine (CID 12633770) is 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine is Fc1nnc(F)c(N(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine?
The InChIKey is ZYPOIJGGMNQYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8N4/c6-1-2(14-3(7)16-15-1)17(4(8,9)10)5(11,12)13.
What are the key properties of 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine?
3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine has a molecular weight of 268.07 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-N,N-bis(trifluoromethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 12633770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).