pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone

C14H17F3N4O2 — CID 56864446

IUPACpyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
SMILESO=C(c1cncc(N2CCOC(C(F)(F)F)C2)n1)N1CCCC1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)11-9-21(5-6-23-11)12-8-18-7-10(19-12)13(22)20-3-1-2-4-20/h7-8,11H,1-6,9H2
InChIKeyRBNHCUYQRUBOQX-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.48
Rot. Bonds2

About pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone

pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone (PubChem CID 56864446) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
PubChem CID56864446
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Namepyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
SMILESO=C(c1cncc(N2CCOC(C(F)(F)F)C2)n1)N1CCCC1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)11-9-21(5-6-23-11)12-8-18-7-10(19-12)13(22)20-3-1-2-4-20/h7-8,11H,1-6,9H2
InChIKeyRBNHCUYQRUBOQX-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone (CID 56864446) is pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone is O=C(c1cncc(N2CCOC(C(F)(F)F)C2)n1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone?
The InChIKey is RBNHCUYQRUBOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c15-14(16,17)11-9-21(5-6-23-11)12-8-18-7-10(19-12)13(22)20-3-1-2-4-20/h7-8,11H,1-6,9H2.
What are the key properties of pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone?
pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone has a molecular weight of 330.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone is sourced from PubChem (CID 56864446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).