4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one

C8H13N3O — CID 89257484

IUPAC4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one
SMILESO=C1CN([C@@H]2CCNC2)C=CN1
InChIInChI=1S/C8H13N3O/c12-8-6-11(4-3-10-8)7-1-2-9-5-7/h3-4,7,9H,1-2,5-6H2,(H,10,12)/t7-/m1/s1
InChIKeyWTJAIVYSTCOOKS-SSDOTTSWSA-N
MW167.21 g/mol
LogP-0.75
Rot. Bonds1

About 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one

4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one (PubChem CID 89257484) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one
PubChem CID89257484
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one
SMILESO=C1CN([C@@H]2CCNC2)C=CN1
InChIInChI=1S/C8H13N3O/c12-8-6-11(4-3-10-8)7-1-2-9-5-7/h3-4,7,9H,1-2,5-6H2,(H,10,12)/t7-/m1/s1
InChIKeyWTJAIVYSTCOOKS-SSDOTTSWSA-N
XLogP-0.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one?
The IUPAC name of 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one (CID 89257484) is 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one?
The canonical SMILES for 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one is O=C1CN([C@@H]2CCNC2)C=CN1.
What is the InChIKey of 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one?
The InChIKey is WTJAIVYSTCOOKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8-6-11(4-3-10-8)7-1-2-9-5-7/h3-4,7,9H,1-2,5-6H2,(H,10,12)/t7-/m1/s1.
What are the key properties of 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one?
4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 89257484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).