3-pyrrolidin-1-yl-1H-pyrazin-2-one

C8H11N3O — CID 115650136

IUPAC3-pyrrolidin-1-yl-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCCC1
InChIInChI=1S/C8H11N3O/c12-8-7(9-3-4-10-8)11-5-1-2-6-11/h3-4H,1-2,5-6H2,(H,10,12)
InChIKeyLVCBPRZARSZYOJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.37
Rot. Bonds1

About 3-pyrrolidin-1-yl-1H-pyrazin-2-one

3-pyrrolidin-1-yl-1H-pyrazin-2-one (PubChem CID 115650136) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1H-pyrazin-2-one
PubChem CID115650136
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-pyrrolidin-1-yl-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCCC1
InChIInChI=1S/C8H11N3O/c12-8-7(9-3-4-10-8)11-5-1-2-6-11/h3-4H,1-2,5-6H2,(H,10,12)
InChIKeyLVCBPRZARSZYOJ-UHFFFAOYSA-N
XLogP0.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Aminopyrrolidin-1-yl)-1,2-dihydropyrazin-2-one dihydrochloride
CID 132343858
1-Ethyl-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015091
1-Methyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one
CID 79040562
3-(3-aminopyrrolidin-1-yl)pyrazin-2(1H)-one
CID 114570919
3-(4,4,4-trifluorobutylamino)-1H-pyrazin-2-one
CID 115663454
3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one
CID 115898926
3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2(1H)-one
CID 122160396
3-(2,2-Difluoropropylamino)-1-methylpyrazin-2-one
CID 130743646
3-(3-fluorobutylamino)-1H-pyrazin-2-one
CID 133625390
3-[(2,2-Difluoropropyl)(methyl)amino]-1,2-dihydropyrazin-2-one
CID 164653013
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazin-2-one
CID 105554413
3-piperidin-1-yl-1H-pyrazin-2-one
CID 115650127

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1H-pyrazin-2-one?
The IUPAC name of 3-pyrrolidin-1-yl-1H-pyrazin-2-one (CID 115650136) is 3-pyrrolidin-1-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-pyrrolidin-1-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-pyrrolidin-1-yl-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-1H-pyrazin-2-one?
The InChIKey is LVCBPRZARSZYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-7(9-3-4-10-8)11-5-1-2-6-11/h3-4H,1-2,5-6H2,(H,10,12).
What are the key properties of 3-pyrrolidin-1-yl-1H-pyrazin-2-one?
3-pyrrolidin-1-yl-1H-pyrazin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1H-pyrazin-2-one is sourced from PubChem (CID 115650136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).