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

C24H29N9O — CID 139537100

IUPAC2-[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
SMILESCN(c1ncc(-c2ccc(-c3ccn4nnnc4c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N9O/c1-23(2)12-17(13-24(3,4)29-23)32(5)22-25-14-19(26-28-22)18-7-6-15(10-20(18)34)16-8-9-33-21(11-16)27-30-31-33/h6-11,14,17,29,34H,12-13H2,1-5H3
InChIKeyDGLLWJRQPRVNFE-UHFFFAOYSA-N
MW459.56 g/mol
LogP3.09
Rot. Bonds4

About 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

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 (PubChem CID 139537100) has the molecular formula C24H29N9O and a molecular weight of 459.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID139537100
Molecular FormulaC24H29N9O
Molecular Weight459.56 g/mol
Exact Mass459.25
IUPAC Name2-[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
SMILESCN(c1ncc(-c2ccc(-c3ccn4nnnc4c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N9O/c1-23(2)12-17(13-24(3,4)29-23)32(5)22-25-14-19(26-28-22)18-7-6-15(10-20(18)34)16-8-9-33-21(11-16)27-30-31-33/h6-11,14,17,29,34H,12-13H2,1-5H3
InChIKeyDGLLWJRQPRVNFE-UHFFFAOYSA-N
XLogP3.09
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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-(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-(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
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-(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-(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-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol
CID 139536580
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
N-[amino-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]methylidene]-N'-methylcarbamimidoyl chloride
CID 153348617
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
6-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]quinolin-7-ol;hydrobromide
CID 139536481

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ncc(-c2ccc(-c3ccn4nnnc4c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 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?
The InChIKey is DGLLWJRQPRVNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O/c1-23(2)12-17(13-24(3,4)29-23)32(5)22-25-14-19(26-28-22)18-7-6-15(10-20(18)34)16-8-9-33-21(11-16)27-30-31-33/h6-11,14,17,29,34H,12-13H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 459.56 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139537100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).