7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine

C27H32N6 — CID 155099281

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

7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155099281) has the molecular formula C27H32N6 and a molecular weight of 440.60 g/mol. Its IUPAC name is 7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
• PubChem CID: 155099281
• Molecular Formula: C27H32N6
• Molecular Weight: 440.60 g/mol
• Exact Mass: 440.27
• IUPAC Name: 7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
• SMILES: CC1(NCCC(c2ccccc2)c2cc(N)nc3n[nH]nc23)CCC(c2ccccc2)CC1
• InChI: InChI=1S/C27H32N6/c1-27(15-12-20(13-16-27)19-8-4-2-5-9-19)29-17-14-22(21-10-6-3-7-11-21)23-18-24(28)30-26-25(23)31-33-32-26/h2-11,18,20,22,29H,12-17H2,1H3,(H3,28,30,31,32,33)
• InChIKey: DDKDBPPRVFIAOX-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 92.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.60
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 155099281) is 7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine.

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

The canonical SMILES for 7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is CC1(NCCC(c2ccccc2)c2cc(N)nc3n[nH]nc23)CCC(c2ccccc2)CC1.

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

The InChIKey is DDKDBPPRVFIAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6/c1-27(15-12-20(13-16-27)19-8-4-2-5-9-19)29-17-14-22(21-10-6-3-7-11-21)23-18-24(28)30-26-25(23)31-33-32-26/h2-11,18,20,22,29H,12-17H2,1H3,(H3,28,30,31,32,33).

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

7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 440.60 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155099281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).