2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol

C19H18FN5O — CID 167306028

IUPAC2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1ncc(/C=C2\CCCC[C@@H]2F)nn1
InChIInChI=1S/C19H18FN5O/c20-17-4-2-1-3-13(17)9-14-11-22-19(24-23-14)16-6-5-15(10-18(16)26)25-8-7-21-12-25/h5-12,17,26H,1-4H2/b13-9+/t17-/m0/s1
InChIKeyWKSCWGCRIYCAQY-VEMDQMBVSA-N
MW351.39 g/mol
LogP3.73
Rot. Bonds3

About 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol

2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol (PubChem CID 167306028) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
PubChem CID167306028
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1ncc(/C=C2\CCCC[C@@H]2F)nn1
InChIInChI=1S/C19H18FN5O/c20-17-4-2-1-3-13(17)9-14-11-22-19(24-23-14)16-6-5-15(10-18(16)26)25-8-7-21-12-25/h5-12,17,26H,1-4H2/b13-9+/t17-/m0/s1
InChIKeyWKSCWGCRIYCAQY-VEMDQMBVSA-N
XLogP3.73
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[(Z)-[2-fluoro-5-(methylamino)cyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167305211
2-[6-[(E)-[(2R,6R)-2-fluoro-6-methyl-6-propylcycloheptylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167305198
2-[6-[(E)-[(1S,2R)-2-fluoro-1-methyl-9-azabicyclo[3.3.1]nonan-3-ylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166579956
2-[6-[(E)-[(2R)-2-fluorocyclopentylidene]methyl]-1,2,4-triazin-3-yl]-5-(5-methyltetrazol-2-yl)phenol
CID 167305315
2-[6-[(E)-[(2R,3S,5S)-3-ethyl-2,5-difluoro-3-methylcyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 167305369
2-[5-[(Z)-[(3S)-3-fluoropiperidin-4-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047272
2-[6-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 155047408
2-[6-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167370110
2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368571
2-[6-[[(2S,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166580153
2-[6-(3-aminocyclobutyl)sulfanyl-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 162390595
2-[6-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166580605

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol (CID 167306028) is 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol is Oc1cc(-n2ccnc2)ccc1-c1ncc(/C=C2\CCCC[C@@H]2F)nn1.
What is the InChIKey of 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol?
The InChIKey is WKSCWGCRIYCAQY-VEMDQMBVSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-17-4-2-1-3-13(17)9-14-11-22-19(24-23-14)16-6-5-15(10-18(16)26)25-8-7-21-12-25/h5-12,17,26H,1-4H2/b13-9+/t17-/m0/s1.
What are the key properties of 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol?
2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol has a molecular weight of 351.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(E)-[(2S)-2-fluorocyclohexylidene]methyl]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 167306028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).