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

C12H17N5O — CID 82857162

IUPAC2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNCc1cnc(N2CCN3C(=O)CCC3C2)cn1
InChIInChI=1S/C12H17N5O/c13-5-9-6-15-11(7-14-9)16-3-4-17-10(8-16)1-2-12(17)18/h6-7,10H,1-5,8,13H2
InChIKeyQSONWZAWOGXYBP-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.25
Rot. Bonds2

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

2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82857162) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82857162
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNCc1cnc(N2CCN3C(=O)CCC3C2)cn1
InChIInChI=1S/C12H17N5O/c13-5-9-6-15-11(7-14-9)16-3-4-17-10(8-16)1-2-12(17)18/h6-7,10H,1-5,8,13H2
InChIKeyQSONWZAWOGXYBP-UHFFFAOYSA-N
XLogP-0.25
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82857162) is 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is NCc1cnc(N2CCN3C(=O)CCC3C2)cn1.
What is the InChIKey of 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is QSONWZAWOGXYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-5-9-6-15-11(7-14-9)16-3-4-17-10(8-16)1-2-12(17)18/h6-7,10H,1-5,8,13H2.
What are the key properties of 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 247.30 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)pyrazin-2-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82857162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).