6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine

C10H14F3N3 — CID 135135472

IUPAC6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine
SMILESFC(F)(F)C1=NC=C(CC2CCNC2)NC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-6-15-8(5-16-9)3-7-1-2-14-4-7/h5,7,14-15H,1-4,6H2
InChIKeyOQJLGBUABYBXCW-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.43
Rot. Bonds2

About 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine

6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine (PubChem CID 135135472) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine.

Molecular Properties

Compound Name6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine
PubChem CID135135472
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine
SMILESFC(F)(F)C1=NC=C(CC2CCNC2)NC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-6-15-8(5-16-9)3-7-1-2-14-4-7/h5,7,14-15H,1-4,6H2
InChIKeyOQJLGBUABYBXCW-UHFFFAOYSA-N
XLogP1.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine?
The IUPAC name of 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine (CID 135135472) is 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine.
What is the SMILES notation for 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine?
The canonical SMILES for 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine is FC(F)(F)C1=NC=C(CC2CCNC2)NC1.
What is the InChIKey of 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine?
The InChIKey is OQJLGBUABYBXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)9-6-15-8(5-16-9)3-7-1-2-14-4-7/h5,7,14-15H,1-4,6H2.
What are the key properties of 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine?
6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine has a molecular weight of 233.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine is sourced from PubChem (CID 135135472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).