1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine

C105H231N25OS — CID 160607823

About 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine

1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 160607823) has the molecular formula C105H231N25OS and a molecular weight of 1892.24 g/mol. Its IUPAC name is 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine
• PubChem CID: 160607823
• Molecular Formula: C105H231N25OS
• Molecular Weight: 1892.24 g/mol
• Exact Mass: 1890.85
• IUPAC Name: 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine
• SMILES: C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(O)N(C)C.Cc1ccccc1.Cc1nc(C)nc(C)n1.Cc1nncn1C.Cc1nnn(C)n1.Cn1ccnc1.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cscn1
• InChI: InChI=1S/C7H8.C6H9N3.C5H11N.C5H5N.C4H7N3.C4H6N2.3C4H4N2.C4H11NO.C3H6N4.C3H3NS.C2H3N3.25C2H6/c1-7-5-3-2-4-6-7;1-4-7-5(2)9-6(3)8-4;2*1-2-4-6-5-3-1;1-4-6-5-3-7(4)2;1-6-3-2-5-4-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4(6)5(2)3;1-3-4-6-7(2)5-3;1-2-5-3-4-1;1-2-4-5-3-1;25*1-2/h2-6H,1H3;1-3H3;6H,1-5H2;1-5H;3H,1-2H3;2-4H,1H3;3*1-4H;4,6H,1-3H3;1-2H3;1-3H;1-2H,(H,3,4,5);25*1-2H3
• InChIKey: RFCNWIUIRIMZDM-UHFFFAOYSA-N
• XLogP: 32.61
• TPSA: 310.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 1
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.24
LogP ≤ 5	32.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine?

The IUPAC name of 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine (CID 160607823) is 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine.

What is the SMILES notation for 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine?

The canonical SMILES for 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine is C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(O)N(C)C.Cc1ccccc1.Cc1nc(C)nc(C)n1.Cc1nncn1C.Cc1nnn(C)n1.Cn1ccnc1.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cscn1.

What is the InChIKey of 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine?

The InChIKey is RFCNWIUIRIMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H9N3.C5H11N.C5H5N.C4H7N3.C4H6N2.3C4H4N2.C4H11NO.C3H6N4.C3H3NS.C2H3N3.25C2H6/c1-7-5-3-2-4-6-7;1-4-7-5(2)9-6(3)8-4;2*1-2-4-6-5-3-1;1-4-6-5-3-7(4)2;1-6-3-2-5-4-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4(6)5(2)3;1-3-4-6-7(2)5-3;1-2-5-3-4-1;1-2-4-5-3-1;25*1-2/h2-6H,1H3;1-3H3;6H,1-5H2;1-5H;3H,1-2H3;2-4H,1H3;3*1-4H;4,6H,1-3H3;1-2H3;1-3H;1-2H,(H,3,4,5);25*1-2H3.

What are the key properties of 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine?

1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 1892.24 g/mol, XLogP of 32.61, 1 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 160607823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).