2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine

C14H20F3N3O — CID 146513712

IUPAC2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine
SMILESCCC(Oc1cnc(C(F)(F)F)cn1)C1CC(C)CN1C
InChIInChI=1S/C14H20F3N3O/c1-4-11(10-5-9(2)8-20(10)3)21-13-7-18-12(6-19-13)14(15,16)17/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyGRZUMZXEVLVECM-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.99
Rot. Bonds4

About 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine

2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine (PubChem CID 146513712) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine
PubChem CID146513712
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine
SMILESCCC(Oc1cnc(C(F)(F)F)cn1)C1CC(C)CN1C
InChIInChI=1S/C14H20F3N3O/c1-4-11(10-5-9(2)8-20(10)3)21-13-7-18-12(6-19-13)14(15,16)17/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyGRZUMZXEVLVECM-UHFFFAOYSA-N
XLogP2.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine (CID 146513712) is 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine is CCC(Oc1cnc(C(F)(F)F)cn1)C1CC(C)CN1C.
What is the InChIKey of 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine?
The InChIKey is GRZUMZXEVLVECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-4-11(10-5-9(2)8-20(10)3)21-13-7-18-12(6-19-13)14(15,16)17/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine?
2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine has a molecular weight of 303.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,4-dimethylpyrrolidin-2-yl)propoxy]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 146513712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).