2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)

C70H114N28O5S5 — CID 160710810

About 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)

2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) (PubChem CID 160710810) has the molecular formula C70H114N28O5S5 and a molecular weight of 1588.21 g/mol. Its IUPAC name is 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole).

Molecular Properties

• Compound Name: 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
• PubChem CID: 160710810
• Molecular Formula: C70H114N28O5S5
• Molecular Weight: 1588.21 g/mol
• Exact Mass: 1586.81
• IUPAC Name: 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
• SMILES: CC1=NN(C)CCC1.CC1=NN(C)CCO1.CC1=NN(C)CCS1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C6H12N2.C5H10N2O.C5H10N2S.2C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3.2C4H6N2O.2C4H6N2S/c1-6-4-3-5-8(2)7-6;2*1-5-6-7(2)3-4-8-5;2*1-5-3-4-7(2)6-5;4*1-4-3-7-5(2)6-4;2*1-4-5-3-7(2)6-4;4*1-3-5-4(2)7-6-3/h3-5H2,1-2H3;2*3-4H2,1-2H3;2*3-4H,1-2H3;6*3H,1-2H3;4*1-2H3
• InChIKey: RRVGQFDCQVKIPM-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 360.33 Ų
• H-Bond Acceptors: 38
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.21
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)?

The IUPAC name of 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) (CID 160710810) is 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole).

What is the SMILES notation for 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)?

The canonical SMILES for 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) is CC1=NN(C)CCC1.CC1=NN(C)CCO1.CC1=NN(C)CCS1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)?

The InChIKey is RRVGQFDCQVKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C5H10N2O.C5H10N2S.2C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3.2C4H6N2O.2C4H6N2S/c1-6-4-3-5-8(2)7-6;2*1-5-6-7(2)3-4-8-5;2*1-5-3-4-7(2)6-5;4*1-4-3-7-5(2)6-4;2*1-4-5-3-7(2)6-4;4*1-3-5-4(2)7-6-3/h3-5H2,1-2H3;2*3-4H2,1-2H3;2*3-4H,1-2H3;6*3H,1-2H3;4*1-2H3.

What are the key properties of 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)?

2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) has a molecular weight of 1588.21 g/mol, XLogP of 13.86, 0 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;2,4-dimethyl-5,6-dihydro-1,3,4-thiadiazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) is sourced from PubChem (CID 160710810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).