5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one

C9H12N4O2 — CID 94339919

IUPAC5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one
SMILESN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C9H12N4O2/c10-6-1-2-13(5-6)9(15)7-3-12-8(14)4-11-7/h3-4,6H,1-2,5,10H2,(H,12,14)/t6-/m0/s1
InChIKeyQOJRDNTZLNNCPG-LURJTMIESA-N
MW208.22 g/mol
LogP-1.06
Rot. Bonds1

About 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one

5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 94339919) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID94339919
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one
SMILESN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C9H12N4O2/c10-6-1-2-13(5-6)9(15)7-3-12-8(14)4-11-7/h3-4,6H,1-2,5,10H2,(H,12,14)/t6-/m0/s1
InChIKeyQOJRDNTZLNNCPG-LURJTMIESA-N
XLogP-1.06
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one (CID 94339919) is 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one is N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is QOJRDNTZLNNCPG-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N4O2/c10-6-1-2-13(5-6)9(15)7-3-12-8(14)4-11-7/h3-4,6H,1-2,5,10H2,(H,12,14)/t6-/m0/s1.
What are the key properties of 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 208.22 g/mol, XLogP of -1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminopyrrolidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 94339919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).