7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H17N5O — CID 115487083

IUPAC7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1ccc(N2CCN3C(=O)NCC3C2)cn1
InChIInChI=1S/C12H17N5O/c13-5-9-1-2-10(6-14-9)16-3-4-17-11(8-16)7-15-12(17)18/h1-2,6,11H,3-5,7-8,13H2,(H,15,18)
InChIKeyRZWITLOZGZPCRW-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.25
Rot. Bonds2

About 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 115487083) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID115487083
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1ccc(N2CCN3C(=O)NCC3C2)cn1
InChIInChI=1S/C12H17N5O/c13-5-9-1-2-10(6-14-9)16-3-4-17-11(8-16)7-15-12(17)18/h1-2,6,11H,3-5,7-8,13H2,(H,15,18)
InChIKeyRZWITLOZGZPCRW-UHFFFAOYSA-N
XLogP-0.25
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 115487083) is 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NCc1ccc(N2CCN3C(=O)NCC3C2)cn1.
What is the InChIKey of 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is RZWITLOZGZPCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-5-9-1-2-10(6-14-9)16-3-4-17-11(8-16)7-15-12(17)18/h1-2,6,11H,3-5,7-8,13H2,(H,15,18).
What are the key properties of 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 247.30 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 115487083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).