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

C14H20N4O2 — CID 115940487

IUPAC7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCC(O)c1ccc(N2CCN3C(=O)NCC3C2)cn1
InChIInChI=1S/C14H20N4O2/c1-2-13(19)12-4-3-10(7-15-12)17-5-6-18-11(9-17)8-16-14(18)20/h3-4,7,11,13,19H,2,5-6,8-9H2,1H3,(H,16,20)
InChIKeyNQMVIURNDSTQKF-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.74
Rot. Bonds3

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

7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 115940487) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID115940487
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCC(O)c1ccc(N2CCN3C(=O)NCC3C2)cn1
InChIInChI=1S/C14H20N4O2/c1-2-13(19)12-4-3-10(7-15-12)17-5-6-18-11(9-17)8-16-14(18)20/h3-4,7,11,13,19H,2,5-6,8-9H2,1H3,(H,16,20)
InChIKeyNQMVIURNDSTQKF-UHFFFAOYSA-N
XLogP0.74
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 115940487) is 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCC(O)c1ccc(N2CCN3C(=O)NCC3C2)cn1.
What is the InChIKey of 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is NQMVIURNDSTQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-13(19)12-4-3-10(7-15-12)17-5-6-18-11(9-17)8-16-14(18)20/h3-4,7,11,13,19H,2,5-6,8-9H2,1H3,(H,16,20).
What are the key properties of 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 115940487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).