7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde

C11H15N3O3S — CID 115273276

IUPAC7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESO=Cc1ncn2c1CN(S(=O)(=O)C1CCC1)CC2
InChIInChI=1S/C11H15N3O3S/c15-7-10-11-6-14(5-4-13(11)8-12-10)18(16,17)9-2-1-3-9/h7-9H,1-6H2
InChIKeyBPIHSVRFJCQQCH-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.39
Rot. Bonds3

About 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde

7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 115273276) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID115273276
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESO=Cc1ncn2c1CN(S(=O)(=O)C1CCC1)CC2
InChIInChI=1S/C11H15N3O3S/c15-7-10-11-6-14(5-4-13(11)8-12-10)18(16,17)9-2-1-3-9/h7-9H,1-6H2
InChIKeyBPIHSVRFJCQQCH-UHFFFAOYSA-N
XLogP0.39
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (CID 115273276) is 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is O=Cc1ncn2c1CN(S(=O)(=O)C1CCC1)CC2.
What is the InChIKey of 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is BPIHSVRFJCQQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-7-10-11-6-14(5-4-13(11)8-12-10)18(16,17)9-2-1-3-9/h7-9H,1-6H2.
What are the key properties of 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 269.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 115273276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).