2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride

C22H31Cl2N7O — CID 139535347

IUPAC2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride
SMILESCN(c1cnc(-c2ccc(-n3nccn3)cc2O)cn1)C1CC(C)(C)NC(C)(C)C1.Cl.Cl
InChIInChI=1S/C22H29N7O.2ClH/c1-21(2)11-16(12-22(3,4)27-21)28(5)20-14-23-18(13-24-20)17-7-6-15(10-19(17)30)29-25-8-9-26-29;;/h6-10,13-14,16,27,30H,11-12H2,1-5H3;2*1H
InChIKeyVEJUDCVEJIDULY-UHFFFAOYSA-N
MW480.44 g/mol
LogP4.02
Rot. Bonds4

About 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride

2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride (PubChem CID 139535347) has the molecular formula C22H31Cl2N7O and a molecular weight of 480.44 g/mol. Its IUPAC name is 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride.

Molecular Properties

Compound Name2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride
PubChem CID139535347
Molecular FormulaC22H31Cl2N7O
Molecular Weight480.44 g/mol
Exact Mass479.20
IUPAC Name2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride
SMILESCN(c1cnc(-c2ccc(-n3nccn3)cc2O)cn1)C1CC(C)(C)NC(C)(C)C1.Cl.Cl
InChIInChI=1S/C22H29N7O.2ClH/c1-21(2)11-16(12-22(3,4)27-21)28(5)20-14-23-18(13-24-20)17-7-6-15(10-19(17)30)29-25-8-9-26-29;;/h6-10,13-14,16,27,30H,11-12H2,1-5H3;2*1H
InChIKeyVEJUDCVEJIDULY-UHFFFAOYSA-N
XLogP4.02
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol
CID 155047262
6-[2-(methoxymethoxy)-4-(triazol-2-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine
CID 139537034
2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol;hydrochloride
CID 139536714
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
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
ethane;5-[4-(1-iodophosphanylpyrazol-4-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine
CID 153348473
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
5-[2,5-dichloro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine
CID 139535579
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
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol
CID 139536860

Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride?
The IUPAC name of 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride (CID 139535347) is 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride.
What is the SMILES notation for 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride?
The canonical SMILES for 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride is CN(c1cnc(-c2ccc(-n3nccn3)cc2O)cn1)C1CC(C)(C)NC(C)(C)C1.Cl.Cl.
What is the InChIKey of 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride?
The InChIKey is VEJUDCVEJIDULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O.2ClH/c1-21(2)11-16(12-22(3,4)27-21)28(5)20-14-23-18(13-24-20)17-7-6-15(10-19(17)30)29-25-8-9-26-29;;/h6-10,13-14,16,27,30H,11-12H2,1-5H3;2*1H.
What are the key properties of 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride?
2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride has a molecular weight of 480.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride is sourced from PubChem (CID 139535347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).