1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C19H25ClN6O3 — CID 120855488

About 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120855488) has the molecular formula C19H25ClN6O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• PubChem CID: 120855488
• Molecular Formula: C19H25ClN6O3
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.17
• IUPAC Name: 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• SMILES: COCCOc1ccc(-n2nc(C)c(-c3nc(C4(N)CCCC4)no3)n2)cc1.Cl
• InChI: InChI=1S/C19H24N6O3.ClH/c1-13-16(17-21-18(24-28-17)19(20)9-3-4-10-19)23-25(22-13)14-5-7-15(8-6-14)27-12-11-26-2;/h5-8H,3-4,9-12,20H2,1-2H3;1H
• InChIKey: GGBMAZZYOGRGOI-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 114.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The IUPAC name of 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120855488) is 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

What is the SMILES notation for 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The canonical SMILES for 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is COCCOc1ccc(-n2nc(C)c(-c3nc(C4(N)CCCC4)no3)n2)cc1.Cl.

What is the InChIKey of 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The InChIKey is GGBMAZZYOGRGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3.ClH/c1-13-16(17-21-18(24-28-17)19(20)9-3-4-10-19)23-25(22-13)14-5-7-15(8-6-14)27-12-11-26-2;/h5-8H,3-4,9-12,20H2,1-2H3;1H.

What are the key properties of 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 420.90 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120855488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).