1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium

C71H118N26O2S2+14 — CID 157415543

About 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium

1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium (PubChem CID 157415543) has the molecular formula C71H118N26O2S2+14 and a molecular weight of 1432.04 g/mol. Its IUPAC name is 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium.

Molecular Properties

• Compound Name: 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium
• PubChem CID: 157415543
• Molecular Formula: C71H118N26O2S2+14
• Molecular Weight: 1432.04 g/mol
• Exact Mass: 1430.93
• IUPAC Name: 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium
• SMILES: CC.CC.CC.C[n+]1ccccc1.C[n+]1ccccn1.C[n+]1ccccn1.C[n+]1cccnc1.C[n+]1ccco1.C[n+]1cccs1.C[n+]1ccncc1.C[n+]1ccoc1.C[n+]1ccsc1.C[n+]1cncnc1.Cc1nc[n+](C)cn1.Cn1c[n+](C)cn1.Cn1cc[n+](C)c1.Cn1ccc[n+]1C
• InChI: InChI=1S/C6H8N.C5H8N3.2C5H9N2.4C5H7N2.C4H8N3.C4H6N3.2C4H6NO.2C4H6NS.3C2H6/c1-7-5-3-2-4-6-7;1-5-6-3-8(2)4-7-5;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-7-4-2-6-3-5-7;1-7-4-2-3-6-5-7;2*1-7-5-3-2-4-6-7;1-6-3-5-7(2)4-6;1-7-3-5-2-6-4-7;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;3*1-2/h2-6H,1H3;3-4H,1-2H3;2*3-5H,1-2H3;4*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;4*2-4H,1H3;3*1-2H3/q14*+1
• InChIKey: UXRYWORYOUAVJQ-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 211.40 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1432.04
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium?

The IUPAC name of 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium (CID 157415543) is 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium.

What is the SMILES notation for 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium?

The canonical SMILES for 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium is CC.CC.CC.C[n+]1ccccc1.C[n+]1ccccn1.C[n+]1ccccn1.C[n+]1cccnc1.C[n+]1ccco1.C[n+]1cccs1.C[n+]1ccncc1.C[n+]1ccoc1.C[n+]1ccsc1.C[n+]1cncnc1.Cc1nc[n+](C)cn1.Cn1c[n+](C)cn1.Cn1cc[n+](C)c1.Cn1ccc[n+]1C.

What is the InChIKey of 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium?

The InChIKey is UXRYWORYOUAVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.C5H8N3.2C5H9N2.4C5H7N2.C4H8N3.C4H6N3.2C4H6NO.2C4H6NS.3C2H6/c1-7-5-3-2-4-6-7;1-5-6-3-8(2)4-7-5;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-7-4-2-6-3-5-7;1-7-4-2-3-6-5-7;2*1-7-5-3-2-4-6-7;1-6-3-5-7(2)4-6;1-7-3-5-2-6-4-7;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;3*1-2/h2-6H,1H3;3-4H,1-2H3;2*3-5H,1-2H3;4*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;4*2-4H,1H3;3*1-2H3/q14*+1;;;.

What are the key properties of 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium?

1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium has a molecular weight of 1432.04 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium is sourced from PubChem (CID 157415543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).