7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde

C10H15N3O3S — CID 115273275

IUPAC7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCC(C)S(=O)(=O)N1CCn2cnc(C=O)c2C1
InChIInChI=1S/C10H15N3O3S/c1-8(2)17(15,16)13-4-3-12-7-11-9(6-14)10(12)5-13/h6-8H,3-5H2,1-2H3
InChIKeyUMOAATQCVRCXMN-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.25
Rot. Bonds3

About 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde

7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 115273275) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID115273275
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCC(C)S(=O)(=O)N1CCn2cnc(C=O)c2C1
InChIInChI=1S/C10H15N3O3S/c1-8(2)17(15,16)13-4-3-12-7-11-9(6-14)10(12)5-13/h6-8H,3-5H2,1-2H3
InChIKeyUMOAATQCVRCXMN-UHFFFAOYSA-N
XLogP0.25
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.25
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-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (CID 115273275) is 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is CC(C)S(=O)(=O)N1CCn2cnc(C=O)c2C1.
What is the InChIKey of 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is UMOAATQCVRCXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8(2)17(15,16)13-4-3-12-7-11-9(6-14)10(12)5-13/h6-8H,3-5H2,1-2H3.
What are the key properties of 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 257.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 115273275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).