4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid

C10H11N3O3 — CID 118498548

IUPAC4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid
SMILESO=C(O)CCCc1cn2cncc2c(=O)[nH]1
InChIInChI=1S/C10H11N3O3/c14-9(15)3-1-2-7-5-13-6-11-4-8(13)10(16)12-7/h4-6H,1-3H2,(H,12,16)(H,14,15)
InChIKeyBQCUZGCDRAQSDG-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.43
Rot. Bonds4

About 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid

4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid (PubChem CID 118498548) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid.

Molecular Properties

Compound Name4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid
PubChem CID118498548
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid
SMILESO=C(O)CCCc1cn2cncc2c(=O)[nH]1
InChIInChI=1S/C10H11N3O3/c14-9(15)3-1-2-7-5-13-6-11-4-8(13)10(16)12-7/h4-6H,1-3H2,(H,12,16)(H,14,15)
InChIKeyBQCUZGCDRAQSDG-UHFFFAOYSA-N
XLogP0.43
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid?
The IUPAC name of 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid (CID 118498548) is 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid.
What is the SMILES notation for 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid?
The canonical SMILES for 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid is O=C(O)CCCc1cn2cncc2c(=O)[nH]1.
What is the InChIKey of 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid?
The InChIKey is BQCUZGCDRAQSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9(15)3-1-2-7-5-13-6-11-4-8(13)10(16)12-7/h4-6H,1-3H2,(H,12,16)(H,14,15).
What are the key properties of 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid?
4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid has a molecular weight of 221.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)butanoic acid is sourced from PubChem (CID 118498548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).