5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine

C19H15N3 — CID 58455780

IUPAC5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine
SMILESCc1ccc(-c2cnc(N)c(C#Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H15N3/c1-14-7-10-16(11-8-14)18-13-21-19(20)17(22-18)12-9-15-5-3-2-4-6-15/h2-8,10-11,13H,1H3,(H2,20,21)
InChIKeySWZSMGRSDOQWKW-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.43
Rot. Bonds1

About 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine

5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine (PubChem CID 58455780) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine
PubChem CID58455780
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine
SMILESCc1ccc(-c2cnc(N)c(C#Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H15N3/c1-14-7-10-16(11-8-14)18-13-21-19(20)17(22-18)12-9-15-5-3-2-4-6-15/h2-8,10-11,13H,1H3,(H2,20,21)
InChIKeySWZSMGRSDOQWKW-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine?
The IUPAC name of 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine (CID 58455780) is 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine is Cc1ccc(-c2cnc(N)c(C#Cc3ccccc3)n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine?
The InChIKey is SWZSMGRSDOQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-14-7-10-16(11-8-14)18-13-21-19(20)17(22-18)12-9-15-5-3-2-4-6-15/h2-8,10-11,13H,1H3,(H2,20,21).
What are the key properties of 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine?
5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(2-phenylethynyl)pyrazin-2-amine is sourced from PubChem (CID 58455780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).