5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine

C17H19N3S — CID 170567143

IUPAC5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine
SMILESCCCCCCc1ccc(-c2nccc3nccnc23)s1
InChIInChI=1S/C17H19N3S/c1-2-3-4-5-6-13-7-8-15(21-13)17-16-14(9-10-19-17)18-11-12-20-16/h7-12H,2-6H2,1H3
InChIKeyJKXPAIDZGMSJST-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.88
Rot. Bonds6

About 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine

5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine (PubChem CID 170567143) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine
PubChem CID170567143
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine
SMILESCCCCCCc1ccc(-c2nccc3nccnc23)s1
InChIInChI=1S/C17H19N3S/c1-2-3-4-5-6-13-7-8-15(21-13)17-16-14(9-10-19-17)18-11-12-20-16/h7-12H,2-6H2,1H3
InChIKeyJKXPAIDZGMSJST-UHFFFAOYSA-N
XLogP4.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine?
The IUPAC name of 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine (CID 170567143) is 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine?
The canonical SMILES for 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine is CCCCCCc1ccc(-c2nccc3nccnc23)s1.
What is the InChIKey of 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine?
The InChIKey is JKXPAIDZGMSJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-3-4-5-6-13-7-8-15(21-13)17-16-14(9-10-19-17)18-11-12-20-16/h7-12H,2-6H2,1H3.
What are the key properties of 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine?
5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine has a molecular weight of 297.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hexylthiophen-2-yl)pyrido[3,4-b]pyrazine is sourced from PubChem (CID 170567143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).