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

C14H20N4O2 — CID 126471651

IUPAC5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)Cn1c(=O)[nH]c2nc(/C=C/CCCO)cnc21
InChIInChI=1S/C14H20N4O2/c1-10(2)9-18-13-12(17-14(18)20)16-11(8-15-13)6-4-3-5-7-19/h4,6,8,10,19H,3,5,7,9H2,1-2H3,(H,16,17,20)/b6-4+
InChIKeyNXOQEEJUBLSSGU-GQCTYLIASA-N
MW276.34 g/mol
LogP1.56
Rot. Bonds6

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

5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126471651) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126471651
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)Cn1c(=O)[nH]c2nc(/C=C/CCCO)cnc21
InChIInChI=1S/C14H20N4O2/c1-10(2)9-18-13-12(17-14(18)20)16-11(8-15-13)6-4-3-5-7-19/h4,6,8,10,19H,3,5,7,9H2,1-2H3,(H,16,17,20)/b6-4+
InChIKeyNXOQEEJUBLSSGU-GQCTYLIASA-N
XLogP1.56
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 126471651) is 5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one is CC(C)Cn1c(=O)[nH]c2nc(/C=C/CCCO)cnc21.
What is the InChIKey of 5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is NXOQEEJUBLSSGU-GQCTYLIASA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)9-18-13-12(17-14(18)20)16-11(8-15-13)6-4-3-5-7-19/h4,6,8,10,19H,3,5,7,9H2,1-2H3,(H,16,17,20)/b6-4+.
What are the key properties of 5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-5-hydroxypent-1-enyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126471651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).