methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole

C70H132N20O2S2 — CID 158336105

About methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole

methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158336105) has the molecular formula C70H132N20O2S2 and a molecular weight of 1350.10 g/mol. Its IUPAC name is methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole
• PubChem CID: 158336105
• Molecular Formula: C70H132N20O2S2
• Molecular Weight: 1350.10 g/mol
• Exact Mass: 1349.03
• IUPAC Name: methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ncccn1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1nnco1.CC(C)c1nncs1
• InChI: InChI=1S/C8H11N.3C7H10N2.C6H10N2.C5H9N3.2C5H8N2O.2C5H8N2S.10CH4/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;;;;;;;;;;/h3-7H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8);4*3-4H,1-2H3;10*1H4
• InChIKey: GQPFKXIFYFZPFL-UHFFFAOYSA-N
• XLogP: 21.54
• TPSA: 289.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.10
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole?

The IUPAC name of methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole (CID 158336105) is methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole.

What is the SMILES notation for methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole?

The canonical SMILES for methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole is C.C.C.C.C.C.C.C.C.C.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ncccn1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1nnco1.CC(C)c1nncs1.

What is the InChIKey of methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole?

The InChIKey is GQPFKXIFYFZPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.3C7H10N2.C6H10N2.C5H9N3.2C5H8N2O.2C5H8N2S.10CH4/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;;;;;;;;;;/h3-7H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8);4*3-4H,1-2H3;10*1H4.

What are the key properties of methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole?

methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 1350.10 g/mol, XLogP of 21.54, 10 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158336105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).