1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone

C11H14IN3O — CID 139530360

IUPAC1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(I)c2C1
InChIInChI=1S/C11H14IN3O/c1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8/h8H,2-6H2,1H3
InChIKeyIGPMKVXFDSFALB-UHFFFAOYSA-N
MW331.16 g/mol
LogP1.73
Rot. Bonds1

About 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone

1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone (PubChem CID 139530360) has the molecular formula C11H14IN3O and a molecular weight of 331.16 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
PubChem CID139530360
Molecular FormulaC11H14IN3O
Molecular Weight331.16 g/mol
Exact Mass331.02
IUPAC Name1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(I)c2C1
InChIInChI=1S/C11H14IN3O/c1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8/h8H,2-6H2,1H3
InChIKeyIGPMKVXFDSFALB-UHFFFAOYSA-N
XLogP1.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The IUPAC name of 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone (CID 139530360) is 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone is CC(=O)N1CCn2c(C3CC3)nc(I)c2C1.
What is the InChIKey of 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The InChIKey is IGPMKVXFDSFALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O/c1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8/h8H,2-6H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone has a molecular weight of 331.16 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 139530360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).