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

C18H21N7O — CID 162777580

IUPAC5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1
InChIInChI=1S/C18H21N7O/c1-24(13-4-6-19-7-5-13)18-21-11-16(22-23-18)15-3-2-14(10-17(15)26)25-9-8-20-12-25/h2-3,8-13,19,26H,4-7H2,1H3
InChIKeyIFFDVIIDUIQCOY-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.62
Rot. Bonds4

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

5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 162777580) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID162777580
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCN(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1
InChIInChI=1S/C18H21N7O/c1-24(13-4-6-19-7-5-13)18-21-11-16(22-23-18)15-3-2-14(10-17(15)26)25-9-8-20-12-25/h2-3,8-13,19,26H,4-7H2,1H3
InChIKeyIFFDVIIDUIQCOY-UHFFFAOYSA-N
XLogP1.62
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-imidazol-1-yl-2-[3-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 162777616
5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
CID 162777617
2-[3-[[(1R,2R,4R)-2,4-difluorocyclopentyl]-methylamino]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971589
2-[3-[[(1S,2R,3R)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162777944
(2R,3R,6R)-2-fluoro-3-[[6-(2-hydroxy-4-imidazol-1-ylphenyl)-1,2,4-triazin-3-yl]-methylamino]-8-azabicyclo[3.2.1]octan-6-ol
CID 166971781
2-[3-[[(1S,2R,3R,6S)-2,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 163483093
5-imidazol-1-yl-2-[3-[(3S)-pyrrolidin-3-yl]sulfanyl-1,2,4-triazin-6-yl]phenol
CID 162777649
2-[3-[1-(3-azabicyclo[3.1.0]hexan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162777667
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
5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol
CID 166973853
2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971761

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 162777580) is 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is CN(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1.
What is the InChIKey of 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is IFFDVIIDUIQCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-24(13-4-6-19-7-5-13)18-21-11-16(22-23-18)15-3-2-14(10-17(15)26)25-9-8-20-12-25/h2-3,8-13,19,26H,4-7H2,1H3.
What are the key properties of 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 351.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 162777580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).