1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one

C13H17F3N6O — CID 136568972

IUPAC1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one
SMILESNc1nc(N2CCCC(N3CCCC3=O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N6O/c14-13(15,16)10-18-11(17)20-12(19-10)21-5-1-3-8(7-21)22-6-2-4-9(22)23/h8H,1-7H2,(H2,17,18,19,20)
InChIKeyRBDSZPPRMKLAIY-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.06
Rot. Bonds2

About 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 136568972) has the molecular formula C13H17F3N6O and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID136568972
Molecular FormulaC13H17F3N6O
Molecular Weight330.31 g/mol
Exact Mass330.14
IUPAC Name1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one
SMILESNc1nc(N2CCCC(N3CCCC3=O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N6O/c14-13(15,16)10-18-11(17)20-12(19-10)21-5-1-3-8(7-21)22-6-2-4-9(22)23/h8H,1-7H2,(H2,17,18,19,20)
InChIKeyRBDSZPPRMKLAIY-UHFFFAOYSA-N
XLogP1.06
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one (CID 136568972) is 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one is Nc1nc(N2CCCC(N3CCCC3=O)C2)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is RBDSZPPRMKLAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6O/c14-13(15,16)10-18-11(17)20-12(19-10)21-5-1-3-8(7-21)22-6-2-4-9(22)23/h8H,1-7H2,(H2,17,18,19,20).
What are the key properties of 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 330.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 136568972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).