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

C21H28N8O — CID 139536604

IUPAC2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol
SMILESCN(c1cnc(-c2ccc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H28N8O/c1-20(2)11-15(12-21(3,4)27-20)28(5)18-13-22-19(26-25-18)16-7-6-14(10-17(16)30)29-23-8-9-24-29/h6-10,13,15,27,30H,11-12H2,1-5H3
InChIKeyLKUDCBXWRQQJKZ-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.57
Rot. Bonds4

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

2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol (PubChem CID 139536604) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol.

Molecular Properties

Compound Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol
PubChem CID139536604
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol
SMILESCN(c1cnc(-c2ccc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H28N8O/c1-20(2)11-15(12-21(3,4)27-20)28(5)18-13-22-19(26-25-18)16-7-6-14(10-17(16)30)29-23-8-9-24-29/h6-10,13,15,27,30H,11-12H2,1-5H3
InChIKeyLKUDCBXWRQQJKZ-UHFFFAOYSA-N
XLogP2.57
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
Votoplam
CID 147894286
4-fluoro-5-imidazol-1-yl-2-[6-[[(1R,3S,5S)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162650904
4-fluoro-5-imidazol-1-yl-2-[6-[[(1S,3R,5R)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162657189
2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256
5-(5,6-Dimethyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-2-methyl-phenol
CID 10199254
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
1-[4-(3-Hydroxy-4-methyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3-(3-piperidin-1-yl-propyl)-urea
CID 44389991
2-[6-[(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 139536431

Frequently Asked Questions

What is the IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol?
The IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol (CID 139536604) is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol.
What is the SMILES notation for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol?
The canonical SMILES for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol is CN(c1cnc(-c2ccc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol?
The InChIKey is LKUDCBXWRQQJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O/c1-20(2)11-15(12-21(3,4)27-20)28(5)18-13-22-19(26-25-18)16-7-6-14(10-17(16)30)29-23-8-9-24-29/h6-10,13,15,27,30H,11-12H2,1-5H3.
What are the key properties of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol?
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol has a molecular weight of 408.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol is sourced from PubChem (CID 139536604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).