5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one

C19H14ClN5O2 — CID 155523240

IUPAC5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one
SMILESCc1ccc(-n2c(O)c(/N=N/c3cn[nH]c(=O)c3Cl)c3ccccc32)cc1
InChIInChI=1S/C19H14ClN5O2/c1-11-6-8-12(9-7-11)25-15-5-3-2-4-13(15)17(19(25)27)23-22-14-10-21-24-18(26)16(14)20/h2-10,27H,1H3,(H,24,26)/b23-22+
InChIKeyRRWGOSHEDDPJNA-GHVJWSGMSA-N
MW379.81 g/mol
LogP4.80
Rot. Bonds3

About 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one

5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one (PubChem CID 155523240) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one
PubChem CID155523240
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one
SMILESCc1ccc(-n2c(O)c(/N=N/c3cn[nH]c(=O)c3Cl)c3ccccc32)cc1
InChIInChI=1S/C19H14ClN5O2/c1-11-6-8-12(9-7-11)25-15-5-3-2-4-13(15)17(19(25)27)23-22-14-10-21-24-18(26)16(14)20/h2-10,27H,1H3,(H,24,26)/b23-22+
InChIKeyRRWGOSHEDDPJNA-GHVJWSGMSA-N
XLogP4.80
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one (CID 155523240) is 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one is Cc1ccc(-n2c(O)c(/N=N/c3cn[nH]c(=O)c3Cl)c3ccccc32)cc1.
What is the InChIKey of 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one?
The InChIKey is RRWGOSHEDDPJNA-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-11-6-8-12(9-7-11)25-15-5-3-2-4-13(15)17(19(25)27)23-22-14-10-21-24-18(26)16(14)20/h2-10,27H,1H3,(H,24,26)/b23-22+.
What are the key properties of 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one?
5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one has a molecular weight of 379.81 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[2-hydroxy-1-(4-methylphenyl)indol-3-yl]diazenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 155523240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).