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

C18H27N5O2 — CID 126473134

IUPAC5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCCC/C=C/c1cnc2[nH]c(=O)n(CCCN3CCOCC3)c2n1
InChIInChI=1S/C18H27N5O2/c1-2-3-4-5-7-15-14-19-16-17(20-15)23(18(24)21-16)9-6-8-22-10-12-25-13-11-22/h5,7,14H,2-4,6,8-13H2,1H3,(H,19,21,24)/b7-5+
InChIKeyAZCCTWLSAILHGC-FNORWQNLSA-N
MW345.45 g/mol
LogP2.05
Rot. Bonds8

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

5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126473134) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126473134
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCCC/C=C/c1cnc2[nH]c(=O)n(CCCN3CCOCC3)c2n1
InChIInChI=1S/C18H27N5O2/c1-2-3-4-5-7-15-14-19-16-17(20-15)23(18(24)21-16)9-6-8-22-10-12-25-13-11-22/h5,7,14H,2-4,6,8-13H2,1H3,(H,19,21,24)/b7-5+
InChIKeyAZCCTWLSAILHGC-FNORWQNLSA-N
XLogP2.05
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
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)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 126473134) is 5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one is CCCC/C=C/c1cnc2[nH]c(=O)n(CCCN3CCOCC3)c2n1.
What is the InChIKey of 5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is AZCCTWLSAILHGC-FNORWQNLSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-2-3-4-5-7-15-14-19-16-17(20-15)23(18(24)21-16)9-6-8-22-10-12-25-13-11-22/h5,7,14H,2-4,6,8-13H2,1H3,(H,19,21,24)/b7-5+.
What are the key properties of 5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 345.45 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hex-1-enyl]-3-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126473134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).