1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one

C13H10N4O — CID 123693209

IUPAC1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1cnccn1)C=Cc1cnccn1
InChIInChI=1S/C13H10N4O/c18-13(3-1-11-9-14-5-7-16-11)4-2-12-10-15-6-8-17-12/h1-10H
InChIKeyYHHJXBWDTGVTGW-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.56
Rot. Bonds4

About 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one

1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one (PubChem CID 123693209) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one
PubChem CID123693209
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1cnccn1)C=Cc1cnccn1
InChIInChI=1S/C13H10N4O/c18-13(3-1-11-9-14-5-7-16-11)4-2-12-10-15-6-8-17-12/h1-10H
InChIKeyYHHJXBWDTGVTGW-UHFFFAOYSA-N
XLogP1.56
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-pyrazin-2-ylprop-2-enoate
CID 72519066
ethyl 3-pyrazin-2-ylprop-2-enoate
CID 123243841
(E)-3-pyrazin-2-ylprop-2-en-1-ol
CID 162376500
4-[methyl-[(E)-3-pyrazin-2-ylprop-2-enoyl]amino]butanoic acid
CID 75405751
(E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
CID 75363884
1-(3-pyrazin-2-ylprop-2-enoyl)-3,4-dihydro-2H-azepin-7-one
CID 155645995
ethane;pyrazine-2-carbaldehyde
CID 145021385
2-hydroxy-3-pyrazin-2-ylprop-2-enamide
CID 149253820
2-penta-1,3-dienylpyrazine
CID 141081856
(1E,4E,6E)-1,7-dipyridin-2-ylhepta-1,4,6-trien-3-one
CID 127039581
2-[(E)-2-cyclopropylethenyl]pyrazine
CID 125484906
(E)-N-[(1S)-2-phenoxy-1-phenylethyl]-3-pyrazin-2-ylprop-2-enamide
CID 95306614

Frequently Asked Questions

What is the IUPAC name of 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one?
The IUPAC name of 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one (CID 123693209) is 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one.
What is the SMILES notation for 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one?
The canonical SMILES for 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one is O=C(C=Cc1cnccn1)C=Cc1cnccn1.
What is the InChIKey of 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one?
The InChIKey is YHHJXBWDTGVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13(3-1-11-9-14-5-7-16-11)4-2-12-10-15-6-8-17-12/h1-10H.
What are the key properties of 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one?
1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one has a molecular weight of 238.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 123693209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).