4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine

C8H14F3N5 — CID 150209820

IUPAC4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCCC1(N)N=CN/C(=N\C(C)C(F)(F)F)N1
InChIInChI=1S/C8H14F3N5/c1-3-7(12)14-4-13-6(16-7)15-5(2)8(9,10)11/h4-5H,3,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyFRGBOBATUVDHSW-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.54
Rot. Bonds2

About 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine

4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 150209820) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID150209820
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC Name4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine
SMILESCCC1(N)N=CN/C(=N\C(C)C(F)(F)F)N1
InChIInChI=1S/C8H14F3N5/c1-3-7(12)14-4-13-6(16-7)15-5(2)8(9,10)11/h4-5H,3,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyFRGBOBATUVDHSW-UHFFFAOYSA-N
XLogP0.54
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine (CID 150209820) is 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine is CCC1(N)N=CN/C(=N\C(C)C(F)(F)F)N1.
What is the InChIKey of 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is FRGBOBATUVDHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-3-7(12)14-4-13-6(16-7)15-5(2)8(9,10)11/h4-5H,3,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine?
4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 237.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1,1,1-trifluoropropan-2-ylimino)-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 150209820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).