5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine

C8H11F3N4 — CID 114448666

IUPAC5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCC(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N4/c1-5-6(2)14-15-7(13-5)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13,15)
InChIKeyMUVMFDSTPCFGIM-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.85
Rot. Bonds3

About 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine (PubChem CID 114448666) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
PubChem CID114448666
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCC(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N4/c1-5-6(2)14-15-7(13-5)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13,15)
InChIKeyMUVMFDSTPCFGIM-UHFFFAOYSA-N
XLogP1.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine (CID 114448666) is 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine is Cc1nnc(NCCC(F)(F)F)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine?
The InChIKey is MUVMFDSTPCFGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-5-6(2)14-15-7(13-5)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine has a molecular weight of 220.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).