methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole

C126H204N34O3S6 — CID 158904253

About methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole

methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole (PubChem CID 158904253) has the molecular formula C126H204N34O3S6 and a molecular weight of 2435.65 g/mol. Its IUPAC name is methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole.

Molecular Properties

• Compound Name: methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole
• PubChem CID: 158904253
• Molecular Formula: C126H204N34O3S6
• Molecular Weight: 2435.65 g/mol
• Exact Mass: 2433.52
• IUPAC Name: methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole
• SMILES: C.CC(C)C1=CC=CC1.CC(C)C1=CCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCN=N1.CC(C)C1=NN=CC1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1nccn1.CC(C)n1ncnn1
• InChI: InChI=1S/2C8H12.C7H11N.2C7H10O.C7H10S.2C6H10N2.C6H9NO.5C6H9NS.5C5H9N3.2C4H8N4.CH4/c2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)5-6-3-7-8-5;1-4(2)8-3-5-6-7-8;1-4(2)8-6-3-5-7-8;/h3,5-7H,4H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3;4*3-6H,1-2H3;4-5H,3H2,1-2H3;10*3-5H,1-2H3;4H,3H2,1-2H3;2*3-4H,1-2H3;1H4
• InChIKey: JFVNSMWWLAPCHI-UHFFFAOYSA-N
• XLogP: 36.50
• TPSA: 418.78 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2435.65
LogP ≤ 5	36.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole?

The IUPAC name of methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole (CID 158904253) is methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole.

What is the SMILES notation for methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole?

The canonical SMILES for methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole is C.CC(C)C1=CC=CC1.CC(C)C1=CCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCN=N1.CC(C)C1=NN=CC1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1nccn1.CC(C)n1ncnn1.

What is the InChIKey of methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole?

The InChIKey is JFVNSMWWLAPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12.C7H11N.2C7H10O.C7H10S.2C6H10N2.C6H9NO.5C6H9NS.5C5H9N3.2C4H8N4.CH4/c2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)5-6-3-7-8-5;1-4(2)8-3-5-6-7-8;1-4(2)8-6-3-5-7-8;/h3,5-7H,4H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3;4*3-6H,1-2H3;4-5H,3H2,1-2H3;10*3-5H,1-2H3;4H,3H2,1-2H3;2*3-4H,1-2H3;1H4.

What are the key properties of methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole?

methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole has a molecular weight of 2435.65 g/mol, XLogP of 36.50, 21 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;3-propan-2-yl-4H-pyrazole;5-propan-2-yl-2H-pyrrole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole is sourced from PubChem (CID 158904253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).