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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Related Compounds

3-[2-(2-fluorophenyl)ethynyl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 54671226
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
5-chloro-3-[2-(4-fluorophenyl)ethynyl]pyrazin-2-amine
CID 166105026
4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine
CID 24750510
5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine
CID 66848885
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-methyl-3-[2-(3-methylphenyl)ethynyl]-5-(4-propan-2-ylsulfonylphenyl)pyrazine;molecular hydrogen
CID 157207435
molybdenum(2+);2-phenylethynylbenzene;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 5249671
1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797
2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline
CID 67685866
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099

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).