4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

C11H16F3N5O — CID 82794418

IUPAC4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCCCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)4-3-7-20-10-17-8(15)16-9(18-10)19-5-1-2-6-19/h1-7H2,(H2,15,16,17,18)
InChIKeyLRTDMKBZSLIKIP-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.78
Rot. Bonds5

About 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (PubChem CID 82794418) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
PubChem CID82794418
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCCCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)4-3-7-20-10-17-8(15)16-9(18-10)19-5-1-2-6-19/h1-7H2,(H2,15,16,17,18)
InChIKeyLRTDMKBZSLIKIP-UHFFFAOYSA-N
XLogP1.78
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (CID 82794418) is 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is Nc1nc(OCCCC(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The InChIKey is LRTDMKBZSLIKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)4-3-7-20-10-17-8(15)16-9(18-10)19-5-1-2-6-19/h1-7H2,(H2,15,16,17,18).
What are the key properties of 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine has a molecular weight of 291.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82794418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).