7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C24H16ClN7O2 — CID 59716806

IUPAC7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1n(Cc2ccc(-c3ccon3)cc2)nc2c(-n3ccnc3)c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C24H16ClN7O2/c25-19-7-5-17(6-8-19)20-13-27-32-23(22(20)30-11-10-26-15-30)28-31(24(32)33)14-16-1-3-18(4-2-16)21-9-12-34-29-21/h1-13,15H,14H2
InChIKeyWPLXCTJZBHVEQH-UHFFFAOYSA-N
MW469.89 g/mol
LogP4.10
Rot. Bonds5

About 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one

7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 59716806) has the molecular formula C24H16ClN7O2 and a molecular weight of 469.89 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID59716806
Molecular FormulaC24H16ClN7O2
Molecular Weight469.89 g/mol
Exact Mass469.11
IUPAC Name7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1n(Cc2ccc(-c3ccon3)cc2)nc2c(-n3ccnc3)c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C24H16ClN7O2/c25-19-7-5-17(6-8-19)20-13-27-32-23(22(20)30-11-10-26-15-30)28-31(24(32)33)14-16-1-3-18(4-2-16)21-9-12-34-29-21/h1-13,15H,14H2
InChIKeyWPLXCTJZBHVEQH-UHFFFAOYSA-N
XLogP4.10
TPSA96.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.89
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 59716806) is 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1n(Cc2ccc(-c3ccon3)cc2)nc2c(-n3ccnc3)c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is WPLXCTJZBHVEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN7O2/c25-19-7-5-17(6-8-19)20-13-27-32-23(22(20)30-11-10-26-15-30)28-31(24(32)33)14-16-1-3-18(4-2-16)21-9-12-34-29-21/h1-13,15H,14H2.
What are the key properties of 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 469.89 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-8-imidazol-1-yl-2-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 59716806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).