2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one

C22H16Cl2N4O3 — CID 11465223

IUPAC2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
SMILESO=c1c(Cl)c(Oc2cnn(Cc3ccccc3)c(=O)c2Cl)cnn1Cc1ccccc1
InChIInChI=1S/C22H16Cl2N4O3/c23-19-17(11-25-27(21(19)29)13-15-7-3-1-4-8-15)31-18-12-26-28(22(30)20(18)24)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyDVBMRZQTXAWBGO-UHFFFAOYSA-N
MW455.30 g/mol
LogP4.00
Rot. Bonds6

About 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one

2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one (PubChem CID 11465223) has the molecular formula C22H16Cl2N4O3 and a molecular weight of 455.30 g/mol. Its IUPAC name is 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
PubChem CID11465223
Molecular FormulaC22H16Cl2N4O3
Molecular Weight455.30 g/mol
Exact Mass454.06
IUPAC Name2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
SMILESO=c1c(Cl)c(Oc2cnn(Cc3ccccc3)c(=O)c2Cl)cnn1Cc1ccccc1
InChIInChI=1S/C22H16Cl2N4O3/c23-19-17(11-25-27(21(19)29)13-15-7-3-1-4-8-15)31-18-12-26-28(22(30)20(18)24)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyDVBMRZQTXAWBGO-UHFFFAOYSA-N
XLogP4.00
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
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2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
CID 90288515
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
2-benzyl-5-methoxy-3-oxopyridazine-4-carbonitrile
CID 44604082
4,5-diamino-2-benzylpyridazin-3-one
CID 820673
2-benzyl-4-benzylsulfanyl-5-methoxypyridazin-3-one
CID 851026
2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one
CID 56927430
2-benzyl-4-[(2-benzyl-5-methoxy-3-oxopyridazin-4-yl)-hydroxy-phenylmethyl]-5-methoxypyridazin-3-one
CID 44605368
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
CID 53475520
5-amino-2-benzyl-4-bromopyridazin-3-one
CID 125494178

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one?
The IUPAC name of 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one (CID 11465223) is 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one?
The canonical SMILES for 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one is O=c1c(Cl)c(Oc2cnn(Cc3ccccc3)c(=O)c2Cl)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one?
The InChIKey is DVBMRZQTXAWBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3/c23-19-17(11-25-27(21(19)29)13-15-7-3-1-4-8-15)31-18-12-26-28(22(30)20(18)24)14-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one?
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one has a molecular weight of 455.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one is sourced from PubChem (CID 11465223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).