2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine

C15H14N2O2 — CID 51051437

IUPAC2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine
SMILESC#Cc1nc(OC)c(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C15H14N2O2/c1-5-13-10(2)16-14(15(17-13)19-4)11-6-8-12(18-3)9-7-11/h1,6-9H,2-4H3
InChIKeyQXNOLFCVJUDMLS-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.45
Rot. Bonds3

About 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine

2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine (PubChem CID 51051437) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine.

Molecular Properties

Compound Name2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine
PubChem CID51051437
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine
SMILESC#Cc1nc(OC)c(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C15H14N2O2/c1-5-13-10(2)16-14(15(17-13)19-4)11-6-8-12(18-3)9-7-11/h1,6-9H,2-4H3
InChIKeyQXNOLFCVJUDMLS-UHFFFAOYSA-N
XLogP2.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4-ethynyl-1,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline
CID 53379591
3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine
CID 169124555
azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
CID 175418792
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
5-chloro-4-(4-methoxyphenyl)-2-methyl-1H-imidazole
CID 54002462
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-(4-methoxyphenyl)-6-methylpyridin-3-ol
CID 68887118
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
2,6-bis(4-methoxyphenyl)-4-methylpyridin-3-amine
CID 66615323

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine?
The IUPAC name of 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine (CID 51051437) is 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine.
What is the SMILES notation for 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine?
The canonical SMILES for 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine is C#Cc1nc(OC)c(-c2ccc(OC)cc2)nc1C.
What is the InChIKey of 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine?
The InChIKey is QXNOLFCVJUDMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-5-13-10(2)16-14(15(17-13)19-4)11-6-8-12(18-3)9-7-11/h1,6-9H,2-4H3.
What are the key properties of 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine?
2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine has a molecular weight of 254.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-6-methoxy-5-(4-methoxyphenyl)-3-methylpyrazine is sourced from PubChem (CID 51051437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).