2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde

C9H8BrN3O2 — CID 154954918

IUPAC2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde
SMILESCc1nc(Br)c2c(=O)n(CC=O)ccn12
InChIInChI=1S/C9H8BrN3O2/c1-6-11-8(10)7-9(15)12(4-5-14)2-3-13(6)7/h2-3,5H,4H2,1H3
InChIKeyWRDNLBFHWRWTTL-UHFFFAOYSA-N
MW270.09 g/mol
LogP0.77
Rot. Bonds2

About 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde

2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde (PubChem CID 154954918) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde
PubChem CID154954918
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde
SMILESCc1nc(Br)c2c(=O)n(CC=O)ccn12
InChIInChI=1S/C9H8BrN3O2/c1-6-11-8(10)7-9(15)12(4-5-14)2-3-13(6)7/h2-3,5H,4H2,1H3
InChIKeyWRDNLBFHWRWTTL-UHFFFAOYSA-N
XLogP0.77
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 50.77
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 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde?
The IUPAC name of 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde (CID 154954918) is 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde.
What is the SMILES notation for 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde?
The canonical SMILES for 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde is Cc1nc(Br)c2c(=O)n(CC=O)ccn12.
What is the InChIKey of 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde?
The InChIKey is WRDNLBFHWRWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-6-11-8(10)7-9(15)12(4-5-14)2-3-13(6)7/h2-3,5H,4H2,1H3.
What are the key properties of 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde?
2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde has a molecular weight of 270.09 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-3-methyl-8-oxoimidazo[1,5-a]pyrazin-7-yl)acetaldehyde is sourced from PubChem (CID 154954918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).