ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C26H40N6O — CID 153348732

About ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 153348732) has the molecular formula C26H40N6O and a molecular weight of 452.65 g/mol. Its IUPAC name is ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

• Compound Name: ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
• PubChem CID: 153348732
• Molecular Formula: C26H40N6O
• Molecular Weight: 452.65 g/mol
• Exact Mass: 452.33
• IUPAC Name: ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
• SMILES: C/C=C\C(=N/C)c1ccc(-c2cnc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1.CC
• InChI: InChI=1S/C24H34N6O.C2H6/c1-8-9-19(25-6)16-10-11-18(21(31)12-16)20-15-26-22(28-27-20)30(7)17-13-23(2,3)29-24(4,5)14-17;1-2/h8-12,15,17,29,31H,13-14H2,1-7H3;1-2H3/b9-8-,25-19+
• InChIKey: YAMOZSJLNQETAB-JEZUJPMJSA-N
• XLogP: 5.01
• TPSA: 86.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.65
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?

The IUPAC name of ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 153348732) is ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

What is the SMILES notation for ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?

The canonical SMILES for ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is C/C=C\C(=N/C)c1ccc(-c2cnc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1.CC.

What is the InChIKey of ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?

The InChIKey is YAMOZSJLNQETAB-JEZUJPMJSA-N. The full InChI is InChI=1S/C24H34N6O.C2H6/c1-8-9-19(25-6)16-10-11-18(21(31)12-16)20-15-26-22(28-27-20)30(7)17-13-23(2,3)29-24(4,5)14-17;1-2/h8-12,15,17,29,31H,13-14H2,1-7H3;1-2H3/b9-8-,25-19+;.

What are the key properties of ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?

ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 452.65 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 153348732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).