2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole

C61H109N17O3S3 — CID 157312991

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole (PubChem CID 157312991) has the molecular formula C61H109N17O3S3 and a molecular weight of 1224.86 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole
• PubChem CID: 157312991
• Molecular Formula: C61H109N17O3S3
• Molecular Weight: 1224.86 g/mol
• Exact Mass: 1223.81
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1cccc1.Cn1cncn1
• InChI: InChI=1S/2C5H7N.C5H6O.C5H6S.2C4H6N2O.2C4H6N2S.2C4H6N2.C3H5N3.7C2H6/c1-5-2-3-6-4-5;1-6-4-2-3-5-6;2*1-5-2-3-6-4-5;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;7*1-2/h2-4,6H,1H3;2-5H,1H3;2*2-4H,1H3;4*1-2H3;2*2-3H,1H3,(H,5,6);2-3H,1H3;7*1-2H3
• InChIKey: BDGHPKHCKSGNFI-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 251.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.86
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole (CID 157312991) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1cccc1.Cn1cncn1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole?

The InChIKey is BDGHPKHCKSGNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.C5H6O.C5H6S.2C4H6N2O.2C4H6N2S.2C4H6N2.C3H5N3.7C2H6/c1-5-2-3-6-4-5;1-6-4-2-3-5-6;2*1-5-2-3-6-4-5;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;7*1-2/h2-4,6H,1H3;2-5H,1H3;2*2-4H,1H3;4*1-2H3;2*2-3H,1H3,(H,5,6);2-3H,1H3;7*1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole has a molecular weight of 1224.86 g/mol, XLogP of 18.11, 0 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;3-methylthiophene;1-methyl-1,2,4-triazole is sourced from PubChem (CID 157312991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).