2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol

C19H19N5O — CID 166971761

IUPAC2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
SMILESC=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCCC1
InChIInChI=1S/C19H19N5O/c1-13(14-4-2-3-5-14)19-21-11-17(22-23-19)16-7-6-15(10-18(16)25)24-9-8-20-12-24/h6-12,14,25H,1-5H2
InChIKeyHESCXDPJWLWNSE-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.63
Rot. Bonds4

About 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol

2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol (PubChem CID 166971761) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
PubChem CID166971761
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
SMILESC=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCCC1
InChIInChI=1S/C19H19N5O/c1-13(14-4-2-3-5-14)19-21-11-17(22-23-19)16-7-6-15(10-18(16)25)24-9-8-20-12-24/h6-12,14,25H,1-5H2
InChIKeyHESCXDPJWLWNSE-UHFFFAOYSA-N
XLogP3.63
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
CID 162777617
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-[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
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
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-[3-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 162777616
5-imidazol-1-yl-2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethenyl]-1,2,4-triazin-3-yl]phenol
CID 155047259
2-[3-[[(1R,2R,4R)-2,4-difluorocyclopentyl]-methylamino]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971589

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol (CID 166971761) is 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol is C=C(c1ncc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCCC1.
What is the InChIKey of 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol?
The InChIKey is HESCXDPJWLWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13(14-4-2-3-5-14)19-21-11-17(22-23-19)16-7-6-15(10-18(16)25)24-9-8-20-12-24/h6-12,14,25H,1-5H2.
What are the key properties of 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol?
2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol has a molecular weight of 333.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 166971761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).