1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

C87H137N25O3 — CID 157492845

About 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (PubChem CID 157492845) has the molecular formula C87H137N25O3 and a molecular weight of 1581.22 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
• PubChem CID: 157492845
• Molecular Formula: C87H137N25O3
• Molecular Weight: 1581.22 g/mol
• Exact Mass: 1580.13
• IUPAC Name: 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnn1.CC(C)n1cncc1C1CC1.CC(C)n1cnnc1.CC(C)n1nncc1C1CC1.CC(C)n1nncc1C1CC1
• InChI: InChI=1S/2C9H14N2.3C9H13NO.4C8H13N3.2C5H9N3/c1-7(2)11-6-10-5-9(11)8-3-4-8;1-7(2)9-5-10-6-11(9)8-3-4-8;2*1-6(2)9-8(5-11-10-9)7-3-4-7;1-6(2)9-8(5-10-11-9)7-3-4-7;2*1-6(2)8-10-9-5-11(8)7-3-4-7;2*1-6(2)11-8(5-9-10-11)7-3-4-7;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8/h2*5-8H,3-4H2,1-2H3;7*5-7H,3-4H2,1-2H3;2*3-5H,1-2H3
• InChIKey: BXMHSHZJLYTRGB-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 297.99 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1581.22
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The IUPAC name of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (CID 157492845) is 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is CC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnn1.CC(C)n1cncc1C1CC1.CC(C)n1cnnc1.CC(C)n1nncc1C1CC1.CC(C)n1nncc1C1CC1.

What is the InChIKey of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The InChIKey is BXMHSHZJLYTRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14N2.3C9H13NO.4C8H13N3.2C5H9N3/c1-7(2)11-6-10-5-9(11)8-3-4-8;1-7(2)9-5-10-6-11(9)8-3-4-8;2*1-6(2)9-8(5-11-10-9)7-3-4-7;1-6(2)9-8(5-10-11-9)7-3-4-7;2*1-6(2)8-10-9-5-11(8)7-3-4-7;2*1-6(2)11-8(5-9-10-11)7-3-4-7;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8/h2*5-8H,3-4H2,1-2H3;7*5-7H,3-4H2,1-2H3;2*3-5H,1-2H3.

What are the key properties of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole has a molecular weight of 1581.22 g/mol, XLogP of 21.37, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 157492845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).