4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one

C23H19N7O2 — CID 59472479

IUPAC4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESCOc1cc(-c2cn(-c3cc(=O)[nH]nc3-c3ccccc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H19N7O2/c1-15-12-29(14-24-15)19-9-8-17(10-21(19)32-2)18-13-30(28-25-18)20-11-22(31)26-27-23(20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,26,31)
InChIKeyGBNFPYWEKAVDCG-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.19
Rot. Bonds5

About 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 59472479) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID59472479
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESCOc1cc(-c2cn(-c3cc(=O)[nH]nc3-c3ccccc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H19N7O2/c1-15-12-29(14-24-15)19-9-8-17(10-21(19)32-2)18-13-30(28-25-18)20-11-22(31)26-27-23(20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,26,31)
InChIKeyGBNFPYWEKAVDCG-UHFFFAOYSA-N
XLogP3.19
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(phenylsulfanylmethyl)triazole
CID 25124453
1-benzyl-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidin-2-one
CID 59472614
2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
CID 59472591
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[(4-pyrrol-1-ylphenyl)methyl]triazole
CID 59472774
3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-6,6-dimethylazepan-2-one
CID 59472579
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
1-(2,2-difluoroethyl)-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-5,5-dimethyl-3,4-dihydro-1-benzazepin-2-one
CID 59472687
(3S,5S)-1-benzyl-5-tert-butyl-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]azepan-2-one
CID 70687533
3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-5-phenylazepane
CID 59472541
(3S,5S)-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-5-phenyl-1-(2,2,2-trifluoroethyl)azepan-2-one
CID 59472872
3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-1-(2-methylprop-2-enyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 59472613

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 59472479) is 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one is COc1cc(-c2cn(-c3cc(=O)[nH]nc3-c3ccccc3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is GBNFPYWEKAVDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-15-12-29(14-24-15)19-9-8-17(10-21(19)32-2)18-13-30(28-25-18)20-11-22(31)26-27-23(20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,26,31).
What are the key properties of 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 425.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 59472479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).