6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde

C10H12N4O2 — CID 84685607

IUPAC6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde
SMILESCC(C)Nc1nc(O)cn2cc(C=O)nc12
InChIInChI=1S/C10H12N4O2/c1-6(2)11-9-10-12-7(5-15)3-14(10)4-8(16)13-9/h3-6,16H,1-2H3,(H,11,13)
InChIKeyPVVKRFDZGJMMPG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.07
Rot. Bonds3

About 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde

6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde (PubChem CID 84685607) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde
PubChem CID84685607
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde
SMILESCC(C)Nc1nc(O)cn2cc(C=O)nc12
InChIInChI=1S/C10H12N4O2/c1-6(2)11-9-10-12-7(5-15)3-14(10)4-8(16)13-9/h3-6,16H,1-2H3,(H,11,13)
InChIKeyPVVKRFDZGJMMPG-UHFFFAOYSA-N
XLogP1.07
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
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-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde?
The IUPAC name of 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde (CID 84685607) is 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde?
The canonical SMILES for 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde is CC(C)Nc1nc(O)cn2cc(C=O)nc12.
What is the InChIKey of 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde?
The InChIKey is PVVKRFDZGJMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6(2)11-9-10-12-7(5-15)3-14(10)4-8(16)13-9/h3-6,16H,1-2H3,(H,11,13).
What are the key properties of 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde?
6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde has a molecular weight of 220.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 84685607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).