5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine

C10H14F4N4 — CID 106294030

IUPAC5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(F)(F)C(F)F)nc1CC
InChIInChI=1S/C10H14F4N4/c1-3-6-7(4-2)17-18-9(16-6)15-5-10(13,14)8(11)12/h8H,3-5H2,1-2H3,(H,15,16,18)
InChIKeyGAUOYSOFSAFMPN-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.31
Rot. Bonds6

About 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine (PubChem CID 106294030) has the molecular formula C10H14F4N4 and a molecular weight of 266.24 g/mol. Its IUPAC name is 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
PubChem CID106294030
Molecular FormulaC10H14F4N4
Molecular Weight266.24 g/mol
Exact Mass266.12
IUPAC Name5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(F)(F)C(F)F)nc1CC
InChIInChI=1S/C10H14F4N4/c1-3-6-7(4-2)17-18-9(16-6)15-5-10(13,14)8(11)12/h8H,3-5H2,1-2H3,(H,15,16,18)
InChIKeyGAUOYSOFSAFMPN-UHFFFAOYSA-N
XLogP2.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine (CID 106294030) is 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine is CCc1nnc(NCC(F)(F)C(F)F)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine?
The InChIKey is GAUOYSOFSAFMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N4/c1-3-6-7(4-2)17-18-9(16-6)15-5-10(13,14)8(11)12/h8H,3-5H2,1-2H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine has a molecular weight of 266.24 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 106294030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).