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

C12H17N5O — CID 79091952

IUPAC7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cnc(N2CCN3C(=O)NCC3C2)c(N)c1
InChIInChI=1S/C12H17N5O/c1-8-4-10(13)11(14-5-8)16-2-3-17-9(7-16)6-15-12(17)18/h4-5,9H,2-3,6-7,13H2,1H3,(H,15,18)
InChIKeyFVDINXBTGANBCV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.19
Rot. Bonds1

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

7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091952) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091952
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cnc(N2CCN3C(=O)NCC3C2)c(N)c1
InChIInChI=1S/C12H17N5O/c1-8-4-10(13)11(14-5-8)16-2-3-17-9(7-16)6-15-12(17)18/h4-5,9H,2-3,6-7,13H2,1H3,(H,15,18)
InChIKeyFVDINXBTGANBCV-UHFFFAOYSA-N
XLogP0.19
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091952) is 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1cnc(N2CCN3C(=O)NCC3C2)c(N)c1.
What is the InChIKey of 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is FVDINXBTGANBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-4-10(13)11(14-5-8)16-2-3-17-9(7-16)6-15-12(17)18/h4-5,9H,2-3,6-7,13H2,1H3,(H,15,18).
What are the key properties of 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(3-amino-5-methyl-2-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 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).