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

C15H22N4O2 — CID 126472190

IUPAC5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCCC/C=C/c1cnc2[nH]c(=O)n(CCCOC)c2n1
InChIInChI=1S/C15H22N4O2/c1-3-4-5-6-8-12-11-16-13-14(17-12)19(15(20)18-13)9-7-10-21-2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,18,20)/b8-6+
InChIKeyZVBRTMMYRCTKCE-SOFGYWHQSA-N
MW290.37 g/mol
LogP2.36
Rot. Bonds8

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

5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126472190) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126472190
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCCC/C=C/c1cnc2[nH]c(=O)n(CCCOC)c2n1
InChIInChI=1S/C15H22N4O2/c1-3-4-5-6-8-12-11-16-13-14(17-12)19(15(20)18-13)9-7-10-21-2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,18,20)/b8-6+
InChIKeyZVBRTMMYRCTKCE-SOFGYWHQSA-N
XLogP2.36
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.36
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]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 126472190) is 5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one is CCCC/C=C/c1cnc2[nH]c(=O)n(CCCOC)c2n1.
What is the InChIKey of 5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is ZVBRTMMYRCTKCE-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-4-5-6-8-12-11-16-13-14(17-12)19(15(20)18-13)9-7-10-21-2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,18,20)/b8-6+.
What are the key properties of 5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-[(E)-hex-1-enyl]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 290.37 g/mol, XLogP of 2.36, 8 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]-3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126472190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).