ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)

C77H142N26 — CID 158138779

About ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)

ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) (PubChem CID 158138779) has the molecular formula C77H142N26 and a molecular weight of 1432.16 g/mol. Its IUPAC name is ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole).

Molecular Properties

• Compound Name: ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
• PubChem CID: 158138779
• Molecular Formula: C77H142N26
• Molecular Weight: 1432.16 g/mol
• Exact Mass: 1431.19
• IUPAC Name: ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncccn1.Cn1ccnn1.Cn1nccn1
• InChI: InChI=1S/3C6H7N.4C5H6N2.5C3H5N3.12C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;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;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;12*1-2/h3*2-5H,1H3;4*2-4H,1H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);12*1-2H3
• InChIKey: FTRJPTQFPJIMEB-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 327.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.16
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?

The IUPAC name of ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) (CID 158138779) is ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole).

What is the SMILES notation for ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?

The canonical SMILES for ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1cn[nH]n1.Cc1ncccn1.Cn1ccnn1.Cn1nccn1.

What is the InChIKey of ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?

The InChIKey is FTRJPTQFPJIMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.4C5H6N2.5C3H5N3.12C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;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;1-6-3-2-4-5-6;1-6-4-2-3-5-6;3*1-3-2-4-6-5-3;12*1-2/h3*2-5H,1H3;4*2-4H,1H3;2*2-3H,1H3;3*2H,1H3,(H,4,5,6);12*1-2H3.

What are the key properties of ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)?

ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) has a molecular weight of 1432.16 g/mol, XLogP of 19.59, 0 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole) is sourced from PubChem (CID 158138779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).