2-(8,9-dihydrochrysen-1-yl)pyrazine

C22H16N2 — CID 174656645

IUPAC2-(8,9-dihydrochrysen-1-yl)pyrazine
SMILESC1=c2ccc3c(ccc4c(-c5cnccn5)cccc43)c2=CCC1
InChIInChI=1S/C22H16N2/c1-2-5-16-15(4-1)8-9-19-17-6-3-7-21(20(17)11-10-18(16)19)22-14-23-12-13-24-22/h3-14H,1-2H2
InChIKeyPAUYAOPVPTXLNQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.80
Rot. Bonds1

About 2-(8,9-dihydrochrysen-1-yl)pyrazine

2-(8,9-dihydrochrysen-1-yl)pyrazine (PubChem CID 174656645) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(8,9-dihydrochrysen-1-yl)pyrazine.

Molecular Properties

Compound Name2-(8,9-dihydrochrysen-1-yl)pyrazine
PubChem CID174656645
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name2-(8,9-dihydrochrysen-1-yl)pyrazine
SMILESC1=c2ccc3c(ccc4c(-c5cnccn5)cccc43)c2=CCC1
InChIInChI=1S/C22H16N2/c1-2-5-16-15(4-1)8-9-19-17-6-3-7-21(20(17)11-10-18(16)19)22-14-23-12-13-24-22/h3-14H,1-2H2
InChIKeyPAUYAOPVPTXLNQ-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dihydrochrysen-1-yl)pyrazine?
The IUPAC name of 2-(8,9-dihydrochrysen-1-yl)pyrazine (CID 174656645) is 2-(8,9-dihydrochrysen-1-yl)pyrazine.
What is the SMILES notation for 2-(8,9-dihydrochrysen-1-yl)pyrazine?
The canonical SMILES for 2-(8,9-dihydrochrysen-1-yl)pyrazine is C1=c2ccc3c(ccc4c(-c5cnccn5)cccc43)c2=CCC1.
What is the InChIKey of 2-(8,9-dihydrochrysen-1-yl)pyrazine?
The InChIKey is PAUYAOPVPTXLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-2-5-16-15(4-1)8-9-19-17-6-3-7-21(20(17)11-10-18(16)19)22-14-23-12-13-24-22/h3-14H,1-2H2.
What are the key properties of 2-(8,9-dihydrochrysen-1-yl)pyrazine?
2-(8,9-dihydrochrysen-1-yl)pyrazine has a molecular weight of 308.38 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dihydrochrysen-1-yl)pyrazine is sourced from PubChem (CID 174656645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).