2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C20H32N4O — CID 131649796

IUPAC2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCCN(CC)CCC1CN(C(=O)CC2=CCCCC2)Cc2cncn21
InChIInChI=1S/C20H32N4O/c1-3-22(4-2)11-10-18-14-23(15-19-13-21-16-24(18)19)20(25)12-17-8-6-5-7-9-17/h8,13,16,18H,3-7,9-12,14-15H2,1-2H3
InChIKeyOZCAOUUNIOHTFT-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.39
Rot. Bonds7

About 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 131649796) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID131649796
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCCN(CC)CCC1CN(C(=O)CC2=CCCCC2)Cc2cncn21
InChIInChI=1S/C20H32N4O/c1-3-22(4-2)11-10-18-14-23(15-19-13-21-16-24(18)19)20(25)12-17-8-6-5-7-9-17/h8,13,16,18H,3-7,9-12,14-15H2,1-2H3
InChIKeyOZCAOUUNIOHTFT-UHFFFAOYSA-N
XLogP3.39
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 131649796) is 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CCN(CC)CCC1CN(C(=O)CC2=CCCCC2)Cc2cncn21.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is OZCAOUUNIOHTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-22(4-2)11-10-18-14-23(15-19-13-21-16-24(18)19)20(25)12-17-8-6-5-7-9-17/h8,13,16,18H,3-7,9-12,14-15H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 344.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[5-[2-(diethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 131649796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).