5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol

C22H29N7O — CID 155047262

IUPAC5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol
SMILESCN(c1cnc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H29N7O/c1-21(2)11-16(12-22(3,4)27-21)28(5)19-13-24-20(26-25-19)17-7-6-15(10-18(17)30)29-9-8-23-14-29/h6-10,13-14,16,27,30H,11-12H2,1-5H3
InChIKeyWZRZHANHCVNXCA-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.18
Rot. Bonds4

About 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol

5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol (PubChem CID 155047262) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol.

Molecular Properties

Compound Name5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol
PubChem CID155047262
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol
SMILESCN(c1cnc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H29N7O/c1-21(2)11-16(12-22(3,4)27-21)28(5)19-13-24-20(26-25-19)17-7-6-15(10-18(17)30)29-9-8-23-14-29/h6-10,13-14,16,27,30H,11-12H2,1-5H3
InChIKeyWZRZHANHCVNXCA-UHFFFAOYSA-N
XLogP3.18
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-imidazol-1-yl-2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethenyl]-1,2,4-triazin-3-yl]phenol
CID 155047259
2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 155047500
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol
CID 139536860
2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047142
2-[6-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 155025616
3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607545
2-[6-[[(2R,3R,6S)-2,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166580242
2-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166579919
2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride
CID 139535347
2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047615
2-[5-[4-azaspiro[2.5]octan-7-yl(methyl)amino]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047617
2-[6-[[(1S,2R,3R,5S,6R)-5-deuterio-2,6-difluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166579901

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol?
The IUPAC name of 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol (CID 155047262) is 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol.
What is the SMILES notation for 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol?
The canonical SMILES for 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol is CN(c1cnc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol?
The InChIKey is WZRZHANHCVNXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-21(2)11-16(12-22(3,4)27-21)28(5)19-13-24-20(26-25-19)17-7-6-15(10-18(17)30)29-9-8-23-14-29/h6-10,13-14,16,27,30H,11-12H2,1-5H3.
What are the key properties of 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol?
5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol has a molecular weight of 407.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol is sourced from PubChem (CID 155047262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).