3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one

C8H12N4O — CID 129394339

IUPAC3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
SMILESN[C@H]1CCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C8H12N4O/c9-6-1-4-12(5-6)7-8(13)11-3-2-10-7/h2-3,6H,1,4-5,9H2,(H,11,13)/t6-/m0/s1
InChIKeyVMJCDHRUHCFCCP-LURJTMIESA-N
MW180.21 g/mol
LogP-0.69
Rot. Bonds1

About 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one

3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129394339) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
PubChem CID129394339
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
SMILESN[C@H]1CCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C8H12N4O/c9-6-1-4-12(5-6)7-8(13)11-3-2-10-7/h2-3,6H,1,4-5,9H2,(H,11,13)/t6-/m0/s1
InChIKeyVMJCDHRUHCFCCP-LURJTMIESA-N
XLogP-0.69
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650144
3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
CID 114571125
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one
CID 46743255
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
3-(7-azabicyclo[2.2.1]heptan-7-yl)-1H-pyrazin-2-one
CID 126856968
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71639291
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 115684957

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one (CID 129394339) is 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one is N[C@H]1CCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is VMJCDHRUHCFCCP-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-1-4-12(5-6)7-8(13)11-3-2-10-7/h2-3,6H,1,4-5,9H2,(H,11,13)/t6-/m0/s1.
What are the key properties of 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one?
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129394339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).