1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one

C13H20N4O — CID 56915004

IUPAC1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCn2cncc2C1)N1CCCC1
InChIInChI=1S/C13H20N4O/c1-11(15-4-2-3-5-15)13(18)16-6-7-17-10-14-8-12(17)9-16/h8,10-11H,2-7,9H2,1H3
InChIKeyPQFMDWBCLPDYTQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.71
Rot. Bonds2

About 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one

1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 56915004) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID56915004
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCn2cncc2C1)N1CCCC1
InChIInChI=1S/C13H20N4O/c1-11(15-4-2-3-5-15)13(18)16-6-7-17-10-14-8-12(17)9-16/h8,10-11H,2-7,9H2,1H3
InChIKeyPQFMDWBCLPDYTQ-UHFFFAOYSA-N
XLogP0.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one (CID 56915004) is 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCn2cncc2C1)N1CCCC1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PQFMDWBCLPDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11(15-4-2-3-5-15)13(18)16-6-7-17-10-14-8-12(17)9-16/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one?
1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 56915004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).