1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide

C16H25N7O2 — CID 70742026

About 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 70742026) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
• PubChem CID: 70742026
• Molecular Formula: C16H25N7O2
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.21
• IUPAC Name: 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
• SMILES: CC(C)c1nc(CCNC(=O)c2cn(C3CCC(N)CC3)nn2)no1
• InChI: InChI=1S/C16H25N7O2/c1-10(2)16-19-14(21-25-16)7-8-18-15(24)13-9-23(22-20-13)12-5-3-11(17)4-6-12/h9-12H,3-8,17H2,1-2H3,(H,18,24)
• InChIKey: IHBQOCNLOMIVOP-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?

The IUPAC name of 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (CID 70742026) is 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.

What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?

The canonical SMILES for 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is CC(C)c1nc(CCNC(=O)c2cn(C3CCC(N)CC3)nn2)no1.

What is the InChIKey of 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?

The InChIKey is IHBQOCNLOMIVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-10(2)16-19-14(21-25-16)7-8-18-15(24)13-9-23(22-20-13)12-5-3-11(17)4-6-12/h9-12H,3-8,17H2,1-2H3,(H,18,24).

What are the key properties of 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?

1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 70742026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).