6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde

C11H12N4O2 — CID 84695513

IUPAC6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde
SMILESO=Cc1cn2cc(O)nc(N3CCCC3)c2n1
InChIInChI=1S/C11H12N4O2/c16-7-8-5-15-6-9(17)13-11(10(15)12-8)14-3-1-2-4-14/h5-7,17H,1-4H2
InChIKeyDDHNNTUGIBUXCJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.85
Rot. Bonds2

About 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde

6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde (PubChem CID 84695513) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde
PubChem CID84695513
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde
SMILESO=Cc1cn2cc(O)nc(N3CCCC3)c2n1
InChIInChI=1S/C11H12N4O2/c16-7-8-5-15-6-9(17)13-11(10(15)12-8)14-3-1-2-4-14/h5-7,17H,1-4H2
InChIKeyDDHNNTUGIBUXCJ-UHFFFAOYSA-N
XLogP0.85
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde?
The IUPAC name of 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde (CID 84695513) is 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde?
The canonical SMILES for 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde is O=Cc1cn2cc(O)nc(N3CCCC3)c2n1.
What is the InChIKey of 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde?
The InChIKey is DDHNNTUGIBUXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-7-8-5-15-6-9(17)13-11(10(15)12-8)14-3-1-2-4-14/h5-7,17H,1-4H2.
What are the key properties of 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde?
6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde has a molecular weight of 232.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 84695513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).