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

C19H20N6O — CID 162777617

IUPAC5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
SMILESC=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1
InChIInChI=1S/C19H20N6O/c1-13(14-4-6-20-7-5-14)19-22-11-17(23-24-19)16-3-2-15(10-18(16)26)25-9-8-21-12-25/h2-3,8-12,14,20,26H,1,4-7H2
InChIKeyGROJTTZDBIITBY-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.44
Rot. Bonds4

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

5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol (PubChem CID 162777617) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
PubChem CID162777617
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
SMILESC=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1
InChIInChI=1S/C19H20N6O/c1-13(14-4-6-20-7-5-14)19-22-11-17(23-24-19)16-3-2-15(10-18(16)26)25-9-8-21-12-25/h2-3,8-12,14,20,26H,1,4-7H2
InChIKeyGROJTTZDBIITBY-UHFFFAOYSA-N
XLogP2.44
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971761
2-[3-[1-(3-azabicyclo[3.1.0]hexan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162777667
5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 162777580
5-imidazol-1-yl-2-[3-[(3S)-pyrrolidin-3-yl]sulfanyl-1,2,4-triazin-6-yl]phenol
CID 162777649
5-imidazol-1-yl-2-[3-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 162777616
2-[3-[1-[(1S,2R,3S,5R)-2-fluoro-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162778049
5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol
CID 166973853
2-[3-[1-[(1R,2S,5R)-5-ethyl-4,4-difluoro-2-methoxy-5-methylcyclohexyl]ethenyl]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971616
2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 162390585
2-[3-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 175705093
5-imidazol-1-yl-2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethenyl]-1,2,4-triazin-3-yl]phenol
CID 155047259
5-imidazol-1-yl-2-(6-pyrrolidin-3-ylsulfanyl-1,2,4-triazin-3-yl)phenol
CID 155047423

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol (CID 162777617) is 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol is C=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1.
What is the InChIKey of 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol?
The InChIKey is GROJTTZDBIITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13(14-4-6-20-7-5-14)19-22-11-17(23-24-19)16-3-2-15(10-18(16)26)25-9-8-21-12-25/h2-3,8-12,14,20,26H,1,4-7H2.
What are the key properties of 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol?
5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol has a molecular weight of 348.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 162777617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).