7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H15N5O — CID 79091949

IUPAC7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cnccc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H15N5O/c12-9-6-13-2-1-10(9)15-3-4-16-8(7-15)5-14-11(16)17/h1-2,6,8H,3-5,7,12H2,(H,14,17)
InChIKeyVIPRSTZCVMSBKM-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.12
Rot. Bonds1

About 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091949) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091949
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cnccc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H15N5O/c12-9-6-13-2-1-10(9)15-3-4-16-8(7-15)5-14-11(16)17/h1-2,6,8H,3-5,7,12H2,(H,14,17)
InChIKeyVIPRSTZCVMSBKM-UHFFFAOYSA-N
XLogP-0.12
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091949) is 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Nc1cnccc1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is VIPRSTZCVMSBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-9-6-13-2-1-10(9)15-3-4-16-8(7-15)5-14-11(16)17/h1-2,6,8H,3-5,7,12H2,(H,14,17).
What are the key properties of 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 233.27 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).