1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine

C27H34N2 — CID 143530069

IUPAC1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine
SMILESCC.CC.Cc1ccc(-c2cnccn2)cc1.Cc1cccc(C2=CCC=C2)c1
InChIInChI=1S/C12H12.C11H10N2.2C2H6/c1-10-5-4-8-12(9-10)11-6-2-3-7-11;1-9-2-4-10(5-3-9)11-8-12-6-7-13-11;2*1-2/h2,4-9H,3H2,1H3;2-8H,1H3;2*1-2H3
InChIKeyHCLWLWGDROFMIS-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.84
Rot. Bonds2

About 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine

1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine (PubChem CID 143530069) has the molecular formula C27H34N2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine
PubChem CID143530069
Molecular FormulaC27H34N2
Molecular Weight386.58 g/mol
Exact Mass386.27
IUPAC Name1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine
SMILESCC.CC.Cc1ccc(-c2cnccn2)cc1.Cc1cccc(C2=CCC=C2)c1
InChIInChI=1S/C12H12.C11H10N2.2C2H6/c1-10-5-4-8-12(9-10)11-6-2-3-7-11;1-9-2-4-10(5-3-9)11-8-12-6-7-13-11;2*1-2/h2,4-9H,3H2,1H3;2-8H,1H3;2*1-2H3
InChIKeyHCLWLWGDROFMIS-UHFFFAOYSA-N
XLogP7.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine
CID 144573791
6-(3-methylphenyl)-3H-azepine
CID 143731473
4-(3-methylphenyl)-2-(4-methylphenyl)pyridine
CID 118345294
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382626
2-(3-methyl-5-pyridin-2-ylphenyl)pyrazine
CID 144553934
2-(3-methyl-5-pyridin-4-ylphenyl)pyrazine
CID 144553900
2-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144705647
2-(2-phenyl-4-pyridinyl)pyrazine
CID 58421040
5-(3-methyl-5-pyrazin-2-ylphenyl)quinoline
CID 144553787
1-chloro-2-[4-(2-methylpropyl)phenyl]benzene;bis(1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene);tris(1-methyl-3-[4-(2-methylpropyl)phenyl]benzene);bis(1-methyl-4-[4-(2-methylpropyl)phenyl]benzene);1-(2-methylpropyl)-4-phenylbenzene
CID 159298601
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine (CID 143530069) is 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine is CC.CC.Cc1ccc(-c2cnccn2)cc1.Cc1cccc(C2=CCC=C2)c1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine?
The InChIKey is HCLWLWGDROFMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H10N2.2C2H6/c1-10-5-4-8-12(9-10)11-6-2-3-7-11;1-9-2-4-10(5-3-9)11-8-12-6-7-13-11;2*1-2/h2,4-9H,3H2,1H3;2-8H,1H3;2*1-2H3.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine?
1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine has a molecular weight of 386.58 g/mol, XLogP of 7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene;ethane;2-(4-methylphenyl)pyrazine is sourced from PubChem (CID 143530069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).