5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol

C12H8N6O2 — CID 166973853

IUPAC5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol
SMILESO=Nc1ncc(-c2ccc(-n3ccnc3)cc2O)nn1
InChIInChI=1S/C12H8N6O2/c19-11-5-8(18-4-3-13-7-18)1-2-9(11)10-6-14-12(17-20)16-15-10/h1-7,19H
InChIKeyATMLYYWXYQWVSP-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.83
Rot. Bonds3

About 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol

5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol (PubChem CID 166973853) has the molecular formula C12H8N6O2 and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol.

Molecular Properties

Compound Name5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol
PubChem CID166973853
Molecular FormulaC12H8N6O2
Molecular Weight268.24 g/mol
Exact Mass268.07
IUPAC Name5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol
SMILESO=Nc1ncc(-c2ccc(-n3ccnc3)cc2O)nn1
InChIInChI=1S/C12H8N6O2/c19-11-5-8(18-4-3-13-7-18)1-2-9(11)10-6-14-12(17-20)16-15-10/h1-7,19H
InChIKeyATMLYYWXYQWVSP-UHFFFAOYSA-N
XLogP1.83
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-imidazol-1-yl-2-[3-[(3S)-pyrrolidin-3-yl]sulfanyl-1,2,4-triazin-6-yl]phenol
CID 162777649
2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971761
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-[3-(methylamino)propoxy]-1,2,4-triazin-6-yl]phenol
CID 162777633
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
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-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 162777616
2-[3-[[(1R,2R,4R)-2,4-difluorocyclopentyl]-methylamino]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971589
5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride
CID 139536861
2-[3-[[(1S,2R,3R,5S,6S)-2,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162777732
(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

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol?
The IUPAC name of 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol (CID 166973853) is 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol.
What is the SMILES notation for 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol?
The canonical SMILES for 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol is O=Nc1ncc(-c2ccc(-n3ccnc3)cc2O)nn1.
What is the InChIKey of 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol?
The InChIKey is ATMLYYWXYQWVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O2/c19-11-5-8(18-4-3-13-7-18)1-2-9(11)10-6-14-12(17-20)16-15-10/h1-7,19H.
What are the key properties of 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol?
5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol has a molecular weight of 268.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol is sourced from PubChem (CID 166973853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).