4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

C9H11F3N4O — CID 103476936

IUPAC4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)4-17-3-6-14-7(5-1-2-5)16-8(13)15-6/h5H,1-4H2,(H2,13,14,15,16)
InChIKeyJQEDBFUVRNQPLD-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.41
Rot. Bonds4

About 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476936) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476936
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)4-17-3-6-14-7(5-1-2-5)16-8(13)15-6/h5H,1-4H2,(H2,13,14,15,16)
InChIKeyJQEDBFUVRNQPLD-UHFFFAOYSA-N
XLogP1.41
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476936) is 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is Nc1nc(COCC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is JQEDBFUVRNQPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)4-17-3-6-14-7(5-1-2-5)16-8(13)15-6/h5H,1-4H2,(H2,13,14,15,16).
What are the key properties of 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 248.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).