7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C₂₆H₃₀N₆ — CID 130450939

About 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130450939) has the molecular formula C₂₆H₃₀N₆ and a molecular weight of 426.57 g/mol. Its IUPAC name is 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
• PubChem CID: 130450939
• Molecular Formula: C₂₆H₃₀N₆
• Molecular Weight: 426.57 g/mol
• Exact Mass: 426.25
• IUPAC Name: 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
• SMILES: Nc1cc([C@H](CCNC2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
• InChI: InChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19?,21?,22-/m1/s1
• InChIKey: NHADCFXDVDQVFZ-KITAHSCOSA-N
• XLogP: 4.77
• TPSA: 92.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.57
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The IUPAC name of 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130450939) is 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

What is the SMILES notation for 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The canonical SMILES for 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCNC2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1.

What is the InChIKey of 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?

The InChIKey is NHADCFXDVDQVFZ-KITAHSCOSA-N. The full InChI is InChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19?,21?,22-/m1/s1.

What are the key properties of 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?

7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 426.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130450939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130450939 — identifiers, structure, computed properties (public domain)

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