bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene

C75H86N20O3 — CID 158924789

About bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene

bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene (PubChem CID 158924789) has the molecular formula C75H86N20O3 and a molecular weight of 1315.65 g/mol. Its IUPAC name is bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene.

Molecular Properties

• Compound Name: bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene
• PubChem CID: 158924789
• Molecular Formula: C75H86N20O3
• Molecular Weight: 1315.65 g/mol
• Exact Mass: 1314.72
• IUPAC Name: bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene
• SMILES: Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnccn1.Cc1cnccn1.Cc1ncccn1.Cn1ccc(=O)cc1.Cn1cnc(=O)c2ccccc21.Cn1cnccc1=O
• InChI: InChI=1S/C9H8N2O.C7H8.C6H7NO.3C6H7N.C5H6N2O.6C5H6N2/c1-11-6-10-9(12)7-4-2-3-5-8(7)11;1-7-5-3-2-4-6-7;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-7-4-6-3-2-5(7)8;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h2-6H,1H3;2-6H,1H3;2-5H,1H3;3*2-5H,1H3;2-4H,1H3;6*2-4H,1H3
• InChIKey: JIHKKFGGISRAHY-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 285.13 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.65
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene?

The IUPAC name of bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene (CID 158924789) is bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene.

What is the SMILES notation for bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene?

The canonical SMILES for bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene is Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnccn1.Cc1cnccn1.Cc1ncccn1.Cn1ccc(=O)cc1.Cn1cnc(=O)c2ccccc21.Cn1cnccc1=O.

What is the InChIKey of bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene?

The InChIKey is JIHKKFGGISRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C7H8.C6H7NO.3C6H7N.C5H6N2O.6C5H6N2/c1-11-6-10-9(12)7-4-2-3-5-8(7)11;1-7-5-3-2-4-6-7;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-7-4-6-3-2-5(7)8;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h2-6H,1H3;2-6H,1H3;2-5H,1H3;3*2-5H,1H3;2-4H,1H3;6*2-4H,1H3.

What are the key properties of bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene?

bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene has a molecular weight of 1315.65 g/mol, XLogP of 11.97, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;1-methylquinazolin-4-one;toluene is sourced from PubChem (CID 158924789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).