About 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene (PubChem CID 157075597) has the molecular formula C56H66N14
and a molecular weight of 935.24 g/mol. Its IUPAC name is 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene.
Molecular Properties
| Compound Name | 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene |
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| PubChem CID | 157075597 |
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| Molecular Formula | C56H66N14 |
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| Molecular Weight | 935.24 g/mol |
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| Exact Mass | 934.56 |
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| IUPAC Name | 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene |
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| SMILES | Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncccn1 |
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| InChI | InChI=1S/C7H8.4C6H7N.5C5H6N2/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3 |
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| InChIKey | ACYATJVXOLTNRB-UHFFFAOYSA-N |
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| XLogP | 11.48 |
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| TPSA | 180.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | |
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| Heavy Atoms | 70 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 935.24 |
| LogP ≤ 5 | 11.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
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Frequently Asked Questions
What is the IUPAC name of 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene?
The IUPAC name of 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene (CID 157075597) is 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene.
What is the SMILES notation for 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene?
The canonical SMILES for 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene is Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncccn1.
What is the InChIKey of 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene?
The InChIKey is ACYATJVXOLTNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.4C6H7N.5C5H6N2/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h2-6H,1H3;4*2-5H,1H3;5*2-4H,1H3.
What are the key properties of 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene?
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene has a molecular weight of 935.24 g/mol, XLogP of 11.48, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene is sourced from PubChem (CID 157075597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).