N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C23H34N8 — CID 70964890

About N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 70964890) has the molecular formula C23H34N8 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 70964890
• Molecular Formula: C23H34N8
• Molecular Weight: 422.58 g/mol
• Exact Mass: 422.29
• IUPAC Name: N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN(Cc1nnc(CC2CCN(C3=NCCN3)CC2)n1C)C1CCCc2cccnc21
• InChI: InChI=1S/C23H34N8/c1-29(19-7-3-5-18-6-4-10-24-22(18)19)16-21-28-27-20(30(21)2)15-17-8-13-31(14-9-17)23-25-11-12-26-23/h4,6,10,17,19H,3,5,7-9,11-16H2,1-2H3,(H,25,26)
• InChIKey: VAPSKJFMTUYHNI-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 74.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.58
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 70964890) is N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1nnc(CC2CCN(C3=NCCN3)CC2)n1C)C1CCCc2cccnc21.

What is the InChIKey of N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is VAPSKJFMTUYHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8/c1-29(19-7-3-5-18-6-4-10-24-22(18)19)16-21-28-27-20(30(21)2)15-17-8-13-31(14-9-17)23-25-11-12-26-23/h4,6,10,17,19H,3,5,7-9,11-16H2,1-2H3,(H,25,26).

What are the key properties of N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 422.58 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 70964890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).