5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one

C14H20N4O3 — CID 126472306

IUPAC5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCOCCCn1c(=O)[nH]c2nc(/C=C/CCCO)cnc21
InChIInChI=1S/C14H20N4O3/c1-21-9-5-7-18-13-12(17-14(18)20)16-11(10-15-13)6-3-2-4-8-19/h3,6,10,19H,2,4-5,7-9H2,1H3,(H,16,17,20)/b6-3+
InChIKeyCMZKJILUPSYLMO-ZZXKWVIFSA-N
MW292.34 g/mol
LogP0.94
Rot. Bonds8

About 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one

5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126472306) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126472306
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCOCCCn1c(=O)[nH]c2nc(/C=C/CCCO)cnc21
InChIInChI=1S/C14H20N4O3/c1-21-9-5-7-18-13-12(17-14(18)20)16-11(10-15-13)6-3-2-4-8-19/h3,6,10,19H,2,4-5,7-9H2,1H3,(H,16,17,20)/b6-3+
InChIKeyCMZKJILUPSYLMO-ZZXKWVIFSA-N
XLogP0.94
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 126472306) is 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one is COCCCn1c(=O)[nH]c2nc(/C=C/CCCO)cnc21.
What is the InChIKey of 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is CMZKJILUPSYLMO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-21-9-5-7-18-13-12(17-14(18)20)16-11(10-15-13)6-3-2-4-8-19/h3,6,10,19H,2,4-5,7-9H2,1H3,(H,16,17,20)/b6-3+.
What are the key properties of 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 292.34 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-5-hydroxypent-1-enyl]-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126472306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).