cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol

C30H42N8O4 — CID 168925146

About cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol

cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol (PubChem CID 168925146) has the molecular formula C30H42N8O4 and a molecular weight of 578.72 g/mol. Its IUPAC name is cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol.

Molecular Properties

• Compound Name: cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol
• PubChem CID: 168925146
• Molecular Formula: C30H42N8O4
• Molecular Weight: 578.72 g/mol
• Exact Mass: 578.33
• IUPAC Name: cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol
• SMILES: C1CCCCC1.CCOC(C)n1cc(-c2ccc3nc(N)nn3c2N2CCCCC2)cn1.O=[N+]([O-])c1ccc(O)cc1
• InChI: InChI=1S/C18H25N7O.C6H5NO3.C6H12/c1-3-26-13(2)24-12-14(11-20-24)15-7-8-16-21-18(19)22-25(16)17(15)23-9-5-4-6-10-23;8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5-3-1/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,19,22);1-4,8H;1-6H2
• InChIKey: BCXITZRSXNKUJF-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 149.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	578.72
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol?

The IUPAC name of cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol (CID 168925146) is cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol.

What is the SMILES notation for cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol?

The canonical SMILES for cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol is C1CCCCC1.CCOC(C)n1cc(-c2ccc3nc(N)nn3c2N2CCCCC2)cn1.O=[N+]([O-])c1ccc(O)cc1.

What is the InChIKey of cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol?

The InChIKey is BCXITZRSXNKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O.C6H5NO3.C6H12/c1-3-26-13(2)24-12-14(11-20-24)15-7-8-16-21-18(19)22-25(16)17(15)23-9-5-4-6-10-23;8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5-3-1/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,19,22);1-4,8H;1-6H2.

What are the key properties of cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol?

cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol has a molecular weight of 578.72 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol is sourced from PubChem (CID 168925146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).