[4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate

C24H32N10O4 — CID 6375228

About [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate

[4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate (PubChem CID 6375228) has the molecular formula C24H32N10O4 and a molecular weight of 524.59 g/mol. Its IUPAC name is [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate.

Molecular Properties

• Compound Name: [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate
• PubChem CID: 6375228
• Molecular Formula: C24H32N10O4
• Molecular Weight: 524.59 g/mol
• Exact Mass: 524.26
• IUPAC Name: [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate
• SMILES: CCN(CC)C(=O)Oc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2C)cc1
• InChI: InChI=1S/C24H32N10O4/c1-4-32(5-2)24(36)37-18-11-9-17(10-12-18)14-26-28-23(35)20-19(15-33-13-7-6-8-16(33)3)34(31-27-20)22-21(25)29-38-30-22/h9-12,14,16H,4-8,13,15H2,1-3H3,(H2,25,29)(H,28,35)/b26-14-
• InChIKey: BLHJYZZIJQLYSP-WGARJPEWSA-N
• XLogP: 2.21
• TPSA: 169.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.59
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate?

The IUPAC name of [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate (CID 6375228) is [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate.

What is the SMILES notation for [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate?

The canonical SMILES for [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2C)cc1.

What is the InChIKey of [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate?

The InChIKey is BLHJYZZIJQLYSP-WGARJPEWSA-N. The full InChI is InChI=1S/C24H32N10O4/c1-4-32(5-2)24(36)37-18-11-9-17(10-12-18)14-26-28-23(35)20-19(15-33-13-7-6-8-16(33)3)34(31-27-20)22-21(25)29-38-30-22/h9-12,14,16H,4-8,13,15H2,1-3H3,(H2,25,29)(H,28,35)/b26-14-.

What are the key properties of [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate?

[4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate has a molecular weight of 524.59 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 6375228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).