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

C14H20N4O2 — CID 126471159

IUPAC5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCCCC/C=C/c1cnc2c(n1)[nH]c(=O)n2CCOC
InChIInChI=1S/C14H20N4O2/c1-3-4-5-6-7-11-10-15-13-12(16-11)17-14(19)18(13)8-9-20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17,19)/b7-6+
InChIKeyDECJDOLBTOHZEB-VOTSOKGWSA-N
MW276.34 g/mol
LogP1.97
Rot. Bonds7

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

5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126471159) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126471159
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCCCC/C=C/c1cnc2c(n1)[nH]c(=O)n2CCOC
InChIInChI=1S/C14H20N4O2/c1-3-4-5-6-7-11-10-15-13-12(16-11)17-14(19)18(13)8-9-20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17,19)/b7-6+
InChIKeyDECJDOLBTOHZEB-VOTSOKGWSA-N
XLogP1.97
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
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)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 126471159) is 5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one is CCCC/C=C/c1cnc2c(n1)[nH]c(=O)n2CCOC.
What is the InChIKey of 5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is DECJDOLBTOHZEB-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-4-5-6-7-11-10-15-13-12(16-11)17-14(19)18(13)8-9-20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17,19)/b7-6+.
What are the key properties of 5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one?
5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hex-1-enyl]-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126471159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).