ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole

C77H142N30 — CID 157126992

About ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole

ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole (PubChem CID 157126992) has the molecular formula C77H142N30 and a molecular weight of 1488.19 g/mol. Its IUPAC name is ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole.

Molecular Properties

• Compound Name: ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole
• PubChem CID: 157126992
• Molecular Formula: C77H142N30
• Molecular Weight: 1488.19 g/mol
• Exact Mass: 1487.20
• IUPAC Name: ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccnn1.Cc1ccncn1.Cc1ccnnc1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cncnn1.Cc1cnncn1.Cc1ncccn1.Cc1nccnn1.Cc1ncncn1.Cn1ccnn1
• InChI: InChI=1S/6C5H6N2.4C4H5N3.2C3H5N3.12C2H6.CH4/c1-5-2-6-4-7-3-5;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;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;1-4-5-2-3-6-7-4;1-6-3-2-4-5-6;1-3-2-4-6-5-3;12*1-2;/h6*2-4H,1H3;4*2-3H,1H3;2-3H,1H3;2H,1H3,(H,4,5,6);12*1-2H3;1H4
• InChIKey: AIPSYJMXGHZPLG-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 381.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.19
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole?

The IUPAC name of ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole (CID 157126992) is ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole.

What is the SMILES notation for ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole?

The canonical SMILES for ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccnn1.Cc1ccncn1.Cc1ccnnc1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cncnn1.Cc1cnncn1.Cc1ncccn1.Cc1nccnn1.Cc1ncncn1.Cn1ccnn1.

What is the InChIKey of ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole?

The InChIKey is AIPSYJMXGHZPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H6N2.4C4H5N3.2C3H5N3.12C2H6.CH4/c1-5-2-6-4-7-3-5;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;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;1-4-5-2-3-6-7-4;1-6-3-2-4-5-6;1-3-2-4-6-5-3;12*1-2;/h6*2-4H,1H3;4*2-3H,1H3;2-3H,1H3;2H,1H3,(H,4,5,6);12*1-2H3;1H4.

What are the key properties of ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole?

ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole has a molecular weight of 1488.19 g/mol, XLogP of 18.31, 0 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;4-methyl-2H-triazole is sourced from PubChem (CID 157126992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).