3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one

C13H20N4O — CID 113360798

IUPAC3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
SMILESCC(N)C1CCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C13H20N4O/c1-9(14)10-4-6-16(8-10)12-13(18)17(7-5-15-12)11-2-3-11/h5,7,9-11H,2-4,6,8,14H2,1H3
InChIKeyYCINQPQDKSWFEF-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds3

About 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one

3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one (PubChem CID 113360798) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
PubChem CID113360798
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
SMILESCC(N)C1CCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C13H20N4O/c1-9(14)10-4-6-16(8-10)12-13(18)17(7-5-15-12)11-2-3-11/h5,7,9-11H,2-4,6,8,14H2,1H3
InChIKeyYCINQPQDKSWFEF-UHFFFAOYSA-N
XLogP0.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one (CID 113360798) is 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one is CC(N)C1CCN(c2nccn(C3CC3)c2=O)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one?
The InChIKey is YCINQPQDKSWFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(14)10-4-6-16(8-10)12-13(18)17(7-5-15-12)11-2-3-11/h5,7,9-11H,2-4,6,8,14H2,1H3.
What are the key properties of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one?
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 113360798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).