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

C10H12IN5O — CID 79095260

IUPAC7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3ncncc3I)CCN12
InChIInChI=1S/C10H12IN5O/c11-8-4-12-6-14-9(8)15-1-2-16-7(5-15)3-13-10(16)17/h4,6-7H,1-3,5H2,(H,13,17)
InChIKeyNTHMXKYNTWMAGA-UHFFFAOYSA-N
MW345.14 g/mol
LogP0.29
Rot. Bonds1

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

7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095260) has the molecular formula C10H12IN5O and a molecular weight of 345.14 g/mol. Its IUPAC name is 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095260
Molecular FormulaC10H12IN5O
Molecular Weight345.14 g/mol
Exact Mass345.01
IUPAC Name7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3ncncc3I)CCN12
InChIInChI=1S/C10H12IN5O/c11-8-4-12-6-14-9(8)15-1-2-16-7(5-15)3-13-10(16)17/h4,6-7H,1-3,5H2,(H,13,17)
InChIKeyNTHMXKYNTWMAGA-UHFFFAOYSA-N
XLogP0.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095260) is 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NCC2CN(c3ncncc3I)CCN12.
What is the InChIKey of 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is NTHMXKYNTWMAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5O/c11-8-4-12-6-14-9(8)15-1-2-16-7(5-15)3-13-10(16)17/h4,6-7H,1-3,5H2,(H,13,17).
What are the key properties of 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 345.14 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).