2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine

C21H17N3 — CID 5187890

IUPAC2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine
SMILESCc1ccc(-c2nc3ccncc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H17N3/c1-14-3-7-16(8-4-14)20-21(17-9-5-15(2)6-10-17)24-19-13-22-12-11-18(19)23-20/h3-13H,1-2H3
InChIKeyWURNBAKBVUWZPR-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.98
Rot. Bonds2

About 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine

2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine (PubChem CID 5187890) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine
PubChem CID5187890
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine
SMILESCc1ccc(-c2nc3ccncc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H17N3/c1-14-3-7-16(8-4-14)20-21(17-9-5-15(2)6-10-17)24-19-13-22-12-11-18(19)23-20/h3-13H,1-2H3
InChIKeyWURNBAKBVUWZPR-UHFFFAOYSA-N
XLogP4.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine?
The IUPAC name of 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine (CID 5187890) is 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine.
What is the SMILES notation for 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine?
The canonical SMILES for 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine is Cc1ccc(-c2nc3ccncc3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine?
The InChIKey is WURNBAKBVUWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-14-3-7-16(8-4-14)20-21(17-9-5-15(2)6-10-17)24-19-13-22-12-11-18(19)23-20/h3-13H,1-2H3.
What are the key properties of 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine?
2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine has a molecular weight of 311.39 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine is sourced from PubChem (CID 5187890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).