2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C11H15N5O — CID 82862708

IUPAC2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1cnc(N2CCN3C(=O)CCC3C2)cn1
InChIInChI=1S/C11H15N5O/c12-9-5-14-10(6-13-9)15-3-4-16-8(7-15)1-2-11(16)17/h5-6,8H,1-4,7H2,(H2,12,13)
InChIKeyHXUMVBXPXVOWPN-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.13
Rot. Bonds1

About 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862708) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862708
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNc1cnc(N2CCN3C(=O)CCC3C2)cn1
InChIInChI=1S/C11H15N5O/c12-9-5-14-10(6-13-9)15-3-4-16-8(7-15)1-2-11(16)17/h5-6,8H,1-4,7H2,(H2,12,13)
InChIKeyHXUMVBXPXVOWPN-UHFFFAOYSA-N
XLogP-0.13
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862708) is 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Nc1cnc(N2CCN3C(=O)CCC3C2)cn1.
What is the InChIKey of 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is HXUMVBXPXVOWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-9-5-14-10(6-13-9)15-3-4-16-8(7-15)1-2-11(16)17/h5-6,8H,1-4,7H2,(H2,12,13).
What are the key properties of 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 233.27 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).