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

C24H30N6O — CID 139536860

IUPAC2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol
SMILESCN(c1cnc(-c2ccc(-c3cccnc3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30N6O/c1-23(2)12-18(13-24(3,4)29-23)30(5)21-15-26-22(28-27-21)19-9-8-16(11-20(19)31)17-7-6-10-25-14-17/h6-11,14-15,18,29,31H,12-13H2,1-5H3
InChIKeyCGYVWZBGCQAWTB-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.05
Rot. Bonds4

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

2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol (PubChem CID 139536860) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol.

Molecular Properties

Compound Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol
PubChem CID139536860
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol
SMILESCN(c1cnc(-c2ccc(-c3cccnc3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30N6O/c1-23(2)12-18(13-24(3,4)29-23)30(5)21-15-26-22(28-27-21)19-9-8-16(11-20(19)31)17-7-6-10-25-14-17/h6-11,14-15,18,29,31H,12-13H2,1-5H3
InChIKeyCGYVWZBGCQAWTB-UHFFFAOYSA-N
XLogP4.05
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-pyridin-3-ylphenol?
The IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol (CID 139536860) is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol.
What is the SMILES notation for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol?
The canonical SMILES for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol is CN(c1cnc(-c2ccc(-c3cccnc3)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-pyridin-3-ylphenol?
The InChIKey is CGYVWZBGCQAWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-23(2)12-18(13-24(3,4)29-23)30(5)21-15-26-22(28-27-21)19-9-8-16(11-20(19)31)17-7-6-10-25-14-17/h6-11,14-15,18,29,31H,12-13H2,1-5H3.
What are the key properties of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol?
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol has a molecular weight of 418.55 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-3-ylphenol is sourced from PubChem (CID 139536860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).