1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one

C15H10Cl2N2O — CID 57275202

IUPAC1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one
SMILESC#CCC(C(=O)c1ccc(Cl)cc1Cl)c1cnccn1
InChIInChI=1S/C15H10Cl2N2O/c1-2-3-12(14-9-18-6-7-19-14)15(20)11-5-4-10(16)8-13(11)17/h1,4-9,12H,3H2
InChIKeySOGXZVQVBAWKDO-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.77
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one

1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one (PubChem CID 57275202) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one
PubChem CID57275202
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one
SMILESC#CCC(C(=O)c1ccc(Cl)cc1Cl)c1cnccn1
InChIInChI=1S/C15H10Cl2N2O/c1-2-3-12(14-9-18-6-7-19-14)15(20)11-5-4-10(16)8-13(11)17/h1,4-9,12H,3H2
InChIKeySOGXZVQVBAWKDO-UHFFFAOYSA-N
XLogP3.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-2-pyridin-3-ylpent-4-yn-1-one
CID 57282493
(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid
CID 104572799
3-[(Z)-1-chloro-3-(2,4-dichlorophenyl)hex-1-en-5-yn-2-yl]pyridine
CID 19817063
2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile
CID 83738665
(2R,3S)-4,4,4-trichloro-1-(2,4-dichlorophenyl)-3-hydroxy-2-pyridin-3-ylbutan-1-one
CID 991918
1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62052399
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683
1-(2,4-dichlorophenyl)-2,4,4-trihydroxybutan-1-one
CID 141279955
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
CID 130136731
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone
CID 55249483

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one (CID 57275202) is 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one is C#CCC(C(=O)c1ccc(Cl)cc1Cl)c1cnccn1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one?
The InChIKey is SOGXZVQVBAWKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-2-3-12(14-9-18-6-7-19-14)15(20)11-5-4-10(16)8-13(11)17/h1,4-9,12H,3H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one?
1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one has a molecular weight of 305.16 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one is sourced from PubChem (CID 57275202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).