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

C109H141N23O5S3 — CID 159289390

IUPAC3-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
SMILESCOc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1nc(-c2cnc(C)c(C(C)(C)C)n2)cs1.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.O=S=O.[C-]#[N+]c1cnc(C)c(C(C)(C)C)n1
InChIInChI=1S/C18H24N2O.C16H20N2O.C15H18N2O.C13H18N4.C13H17N3S.C12H16N4.C12H15N3S.C10H13N3.O2S/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;1-8-12(13(3,4)5)16-10(6-14-8)11-7-17-9(2)15-11;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;1-7-9(10(2,3)4)13-8(11-5)6-12-7;1-3-2/h7-12H,1-6H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;6-7H,1-5H3;5-7H,1-4H3,(H,14,15);5-7H,1-4H3;6H,1-4H3;
InChIKeyKZXMETRSOICGCT-UHFFFAOYSA-N
MW1949.68 g/mol
LogP25.39
Rot. Bonds10

About 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

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 (PubChem CID 159289390) has the molecular formula C109H141N23O5S3 and a molecular weight of 1949.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159289390
Molecular FormulaC109H141N23O5S3
Molecular Weight1949.68 g/mol
Exact Mass1948.06
IUPAC Name3-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
SMILESCOc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1nc(-c2cnc(C)c(C(C)(C)C)n2)cs1.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.O=S=O.[C-]#[N+]c1cnc(C)c(C(C)(C)C)n1
InChIInChI=1S/C18H24N2O.C16H20N2O.C15H18N2O.C13H18N4.C13H17N3S.C12H16N4.C12H15N3S.C10H13N3.O2S/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;1-8-12(13(3,4)5)16-10(6-14-8)11-7-17-9(2)15-11;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;1-7-9(10(2,3)4)13-8(11-5)6-12-7;1-3-2/h7-12H,1-6H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;6-7H,1-5H3;5-7H,1-4H3,(H,14,15);5-7H,1-4H3;6H,1-4H3;
InChIKeyKZXMETRSOICGCT-UHFFFAOYSA-N
XLogP25.39
TPSA355.71 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001949.68
LogP ≤ 525.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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 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-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
1-tert-butyl-4-isocyanobenzene;1-tert-butyl-3-methoxy-5-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylphenol;4-tert-butyl-1H-pyrazole;2-tert-butylpyridin-4-amine;1-(5-tert-butyl-2-pyridinyl)piperazine;4-tert-butyl-1,3-thiazole;5-(2,2-dimethylpropyl)-2-methylpyridine
CID 160715841
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1nc(-c2cnc(C)c(C(C)(C)C)n2)cs1.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.O=S=O.[C-]#[N+]c1cnc(C)c(C(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is KZXMETRSOICGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C16H20N2O.C15H18N2O.C13H18N4.C13H17N3S.C12H16N4.C12H15N3S.C10H13N3.O2S/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;1-8-12(13(3,4)5)16-10(6-14-8)11-7-17-9(2)15-11;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;1-7-9(10(2,3)4)13-8(11-5)6-12-7;1-3-2/h7-12H,1-6H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;6-7H,1-5H3;5-7H,1-4H3,(H,14,15);5-7H,1-4H3;6H,1-4H3;.
What are the key properties of 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?
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 has a molecular weight of 1949.68 g/mol, XLogP of 25.39, 10 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159289390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).