3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine

C86H111N17O3S — CID 159976969

IUPAC3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine
SMILESCOc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C.Cc1ncc(-c2cn[nH]c2)nc1C(C)(C)C.Cc1ncc(-c2cnn(C)c2)nc1C(C)(C)C.Cc1ncc(-c2cscn2)nc1C(C)(C)C
InChIInChI=1S/C18H24N2O.C16H20N2O.C15H18N2O.C13H18N4.C12H16N4.C12H15N3S/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11;1-9-12(13(2,3)4)16-11(7-14-9)10-6-15-17(5)8-10;1-8-11(12(2,3)4)16-10(7-13-8)9-5-14-15-6-9;1-8-11(12(2,3)4)15-9(5-13-8)10-6-16-7-14-10/h7-12H,1-6H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;5-7H,1-4H3,(H,14,15);5-7H,1-4H3
InChIKeyOFGYCSLIQGJXGF-UHFFFAOYSA-N
MW1463.02 g/mol
LogP19.91
Rot. Bonds9

About 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine

3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine (PubChem CID 159976969) has the molecular formula C86H111N17O3S and a molecular weight of 1463.02 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine
PubChem CID159976969
Molecular FormulaC86H111N17O3S
Molecular Weight1463.02 g/mol
Exact Mass1461.88
IUPAC Name3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine
SMILESCOc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C.Cc1ncc(-c2cn[nH]c2)nc1C(C)(C)C.Cc1ncc(-c2cnn(C)c2)nc1C(C)(C)C.Cc1ncc(-c2cscn2)nc1C(C)(C)C
InChIInChI=1S/C18H24N2O.C16H20N2O.C15H18N2O.C13H18N4.C12H16N4.C12H15N3S/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11;1-9-12(13(2,3)4)16-11(7-14-9)10-6-15-17(5)8-10;1-8-11(12(2,3)4)16-10(7-13-8)9-5-14-15-6-9;1-8-11(12(2,3)4)15-9(5-13-8)10-6-16-7-14-10/h7-12H,1-6H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;5-7H,1-4H3,(H,14,15);5-7H,1-4H3
InChIKeyOFGYCSLIQGJXGF-UHFFFAOYSA-N
XLogP19.91
TPSA252.76 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001463.02
LogP ≤ 519.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine with MolForge

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Related Compounds

5-tert-butyl-N,N-dimethylpyrazin-2-amine;2-tert-butyl-1H-inden-5-ol;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-3-methoxy-5-methylbenzene;3-tert-butyl-6-methylpyridazine;5-tert-butyl-2-methylpyridine;4-tert-butylphenol;4-tert-butyl-1H-pyrazole;2-tert-butylpyridin-4-amine;4-tert-butyl-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine
CID 157913136
3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine
CID 158842327
3-tert-butyl-5-isocyano-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;4-(6-tert-butyl-5-methylpyrazin-2-yl)-2-methyl-1,3-thiazole;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine;sulfur dioxide
CID 159289390
3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;4-(6-tert-butyl-5-methylpyrazin-2-yl)-2-methyl-1,3-thiazole;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine;sulfur dioxide
CID 161851456

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine?
The IUPAC name of 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine (CID 159976969) is 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine.
What is the SMILES notation for 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine?
The canonical SMILES for 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine is COc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C.Cc1ncc(-c2cn[nH]c2)nc1C(C)(C)C.Cc1ncc(-c2cnn(C)c2)nc1C(C)(C)C.Cc1ncc(-c2cscn2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine?
The InChIKey is OFGYCSLIQGJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C16H20N2O.C15H18N2O.C13H18N4.C12H16N4.C12H15N3S/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11;1-9-12(13(2,3)4)16-11(7-14-9)10-6-15-17(5)8-10;1-8-11(12(2,3)4)16-10(7-13-8)9-5-14-15-6-9;1-8-11(12(2,3)4)15-9(5-13-8)10-6-16-7-14-10/h7-12H,1-6H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;5-7H,1-4H3,(H,14,15);5-7H,1-4H3.
What are the key properties of 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine?
3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine has a molecular weight of 1463.02 g/mol, XLogP of 19.91, 9 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;4-(6-tert-butyl-5-methylpyrazin-2-yl)-1,3-thiazole;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine is sourced from PubChem (CID 159976969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).