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

C14H21N5O2 — CID 79095689

IUPAC7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1ccc(=O)n(CCCN2CCN3C(=O)NCC3C2)c1
InChIInChI=1S/C14H21N5O2/c15-11-2-3-13(20)18(9-11)5-1-4-17-6-7-19-12(10-17)8-16-14(19)21/h2-3,9,12H,1,4-8,10,15H2,(H,16,21)
InChIKeyZWNCLCSKSPQENS-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.47
Rot. Bonds4

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

7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095689) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095689
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1ccc(=O)n(CCCN2CCN3C(=O)NCC3C2)c1
InChIInChI=1S/C14H21N5O2/c15-11-2-3-13(20)18(9-11)5-1-4-17-6-7-19-12(10-17)8-16-14(19)21/h2-3,9,12H,1,4-8,10,15H2,(H,16,21)
InChIKeyZWNCLCSKSPQENS-UHFFFAOYSA-N
XLogP-0.47
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095689) is 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Nc1ccc(=O)n(CCCN2CCN3C(=O)NCC3C2)c1.
What is the InChIKey of 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZWNCLCSKSPQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-11-2-3-13(20)18(9-11)5-1-4-17-6-7-19-12(10-17)8-16-14(19)21/h2-3,9,12H,1,4-8,10,15H2,(H,16,21).
What are the key properties of 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 291.35 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).