6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
C139H187N43O2S — CID 158547342
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
SMILESCC(C)(C)c1cncc(C#N)n1.CC(C)c1cnc(-n2cccc2)cn1.CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1cnc(-n2ccnc2)cn1.CC(C)c1cnc(N2CCCCC2C)cn1.CC1CCN(c2cnc(C(C)C)cn2)CC1.CCN(C)c1nc(C(C)C)cs1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)C)cn1
InChIInChI=1S/2C13H21N3.C12H13N3O.4C11H14N4.C11H13N3.2C10H12N4.C9H11N3.C9H16N2S.C8H12N2O/c1-10(2)12-8-15-13(9-14-12)16-6-4-11(3)5-7-16;1-10(2)12-8-15-13(9-14-12)16-7-5-4-6-11(16)3;1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-8(2)10-4-13-11(5-12-10)15-6-9(3)14-7-15;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-14-11(7-13-10)15-5-4-12-9(15)3;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-13-11(8-12-10)14-5-3-4-6-14;1-8(2)9-5-13-10(6-12-9)14-4-3-11-7-14;1-8(2)9-6-12-10(7-11-9)14-5-3-4-13-14;1-9(2,3)8-6-11-5-7(4-10)12-8;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)7-4-9-5-8(10-7)11-3/h2*8-11H,4-7H2,1-3H3;3-9H,1-2H3;4*4-8H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;5-6H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3
InChIKeyHPHACSYGFABWRG-UHFFFAOYSA-N
MW2524.39 g/mol
LogP27.88
Rot. Bonds25
About 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine (PubChem CID 158547342) has the molecular formula C139H187N43O2S and a molecular weight of 2524.39 g/mol. Its IUPAC name is 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine.
Molecular Properties
| Compound Name | 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine |
|---|---|
| PubChem CID | 158547342 |
| Molecular Formula | C139H187N43O2S |
| Molecular Weight | 2524.39 g/mol |
| Exact Mass | 2522.56 |
| IUPAC Name | 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine |
| SMILES | CC(C)(C)c1cncc(C#N)n1.CC(C)c1cnc(-n2cccc2)cn1.CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1cnc(-n2ccnc2)cn1.CC(C)c1cnc(N2CCCCC2C)cn1.CC1CCN(c2cnc(C(C)C)cn2)CC1.CCN(C)c1nc(C(C)C)cs1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)C)cn1 |
| InChI | InChI=1S/2C13H21N3.C12H13N3O.4C11H14N4.C11H13N3.2C10H12N4.C9H11N3.C9H16N2S.C8H12N2O/c1-10(2)12-8-15-13(9-14-12)16-6-4-11(3)5-7-16;1-10(2)12-8-15-13(9-14-12)16-7-5-4-6-11(16)3;1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-8(2)10-4-13-11(5-12-10)15-6-9(3)14-7-15;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-14-11(7-13-10)15-5-4-12-9(15)3;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-13-11(8-12-10)14-5-3-4-6-14;1-8(2)9-5-13-10(6-12-9)14-4-3-11-7-14;1-8(2)9-6-12-10(7-11-9)14-5-3-4-13-14;1-9(2,3)8-6-11-5-7(4-10)12-8;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)7-4-9-5-8(10-7)11-3/h2*8-11H,4-7H2,1-3H3;3-9H,1-2H3;4*4-8H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;5-6H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3 |
| InChIKey | HPHACSYGFABWRG-UHFFFAOYSA-N |
| XLogP | 27.88 |
| TPSA | 498.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 185 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2524.39 |
| LogP ≤ 5 | 27.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 46 |
Frequently Asked Questions
What is the IUPAC name of 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine?
The IUPAC name of 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine (CID 158547342) is 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine.
What is the SMILES notation for 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine?
The canonical SMILES for 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine is CC(C)(C)c1cncc(C#N)n1.CC(C)c1cnc(-n2cccc2)cn1.CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1cnc(-n2ccnc2)cn1.CC(C)c1cnc(N2CCCCC2C)cn1.CC1CCN(c2cnc(C(C)C)cn2)CC1.CCN(C)c1nc(C(C)C)cs1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)C)cn1.
What is the InChIKey of 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine?
The InChIKey is HPHACSYGFABWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3.C12H13N3O.4C11H14N4.C11H13N3.2C10H12N4.C9H11N3.C9H16N2S.C8H12N2O/c1-10(2)12-8-15-13(9-14-12)16-6-4-11(3)5-7-16;1-10(2)12-8-15-13(9-14-12)16-7-5-4-6-11(16)3;1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-8(2)10-4-13-11(5-12-10)15-6-9(3)14-7-15;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-14-11(7-13-10)15-5-4-12-9(15)3;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-13-11(8-12-10)14-5-3-4-6-14;1-8(2)9-5-13-10(6-12-9)14-4-3-11-7-14;1-8(2)9-6-12-10(7-11-9)14-5-3-4-13-14;1-9(2,3)8-6-11-5-7(4-10)12-8;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)7-4-9-5-8(10-7)11-3/h2*8-11H,4-7H2,1-3H3;3-9H,1-2H3;4*4-8H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;5-6H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3.
What are the key properties of 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine?
6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine has a molecular weight of 2524.39 g/mol, XLogP of 27.88, 25 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyrazine-2-carbonitrile;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine is sourced from PubChem (CID 158547342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
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