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

C26H32N6O2 — CID 155772524

IUPAC5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-c3ccc4c(c3)OCN4)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32N6O2/c1-25(2)12-18(13-26(3,4)31-25)32(5)24-27-14-21(29-30-24)19-8-6-16(10-22(19)33)17-7-9-20-23(11-17)34-15-28-20/h6-11,14,18,28,31,33H,12-13,15H2,1-5H3
InChIKeyCEWHQXXHBATKGU-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.42
Rot. Bonds4

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

5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 155772524) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID155772524
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-c3ccc4c(c3)OCN4)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32N6O2/c1-25(2)12-18(13-26(3,4)31-25)32(5)24-27-14-21(29-30-24)19-8-6-16(10-22(19)33)17-7-9-20-23(11-17)34-15-28-20/h6-11,14,18,28,31,33H,12-13,15H2,1-5H3
InChIKeyCEWHQXXHBATKGU-UHFFFAOYSA-N
XLogP4.42
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol with MolForge

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Related Compounds

3-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-1H-pyridazin-6-one;hydrochloride
CID 139536490
5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536558
5-(1-methylimidazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride
CID 155772539
5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride
CID 139536924
2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(tetrazolo[1,5-a]pyridin-7-yl)phenol
CID 139537100
2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol
CID 139536580
5-(6-methoxy-1,2,4-triazin-3-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536902
5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 153348816
5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536748
6-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]quinolin-7-ol;hydrobromide
CID 139536481
1-[1-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]pyrazol-4-yl]ethanone
CID 139536426
1-[1-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]pyrazol-4-yl]ethanone;dihydrochloride
CID 139536425

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 155772524) is 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CN(c1ncc(-c2ccc(-c3ccc4c(c3)OCN4)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is CEWHQXXHBATKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-25(2)12-18(13-26(3,4)31-25)32(5)24-27-14-21(29-30-24)19-8-6-16(10-22(19)33)17-7-9-20-23(11-17)34-15-28-20/h6-11,14,18,28,31,33H,12-13,15H2,1-5H3.
What are the key properties of 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 460.58 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 155772524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).