5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one

C23H26ClN5O — CID 17489044

IUPAC5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCCN2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C23H26ClN5O/c24-22-21(17-26-29(23(22)30)20-9-5-2-6-10-20)25-11-12-27-13-15-28(16-14-27)18-19-7-3-1-4-8-19/h1-10,17,25H,11-16,18H2
InChIKeySNZGENNJCQZOAP-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.12
Rot. Bonds7

About 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one

5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one (PubChem CID 17489044) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
PubChem CID17489044
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCCN2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C23H26ClN5O/c24-22-21(17-26-29(23(22)30)20-9-5-2-6-10-20)25-11-12-27-13-15-28(16-14-27)18-19-7-3-1-4-8-19/h1-10,17,25H,11-16,18H2
InChIKeySNZGENNJCQZOAP-UHFFFAOYSA-N
XLogP3.12
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
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2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
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4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726267
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-phenylpyridazin-3-one
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4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one
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4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
CID 18291225
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-5-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-phenylpyridazin-3-one
CID 55346985
4-chloro-2-phenyl-5-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one?
The IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one (CID 17489044) is 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one?
The canonical SMILES for 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one is O=c1c(Cl)c(NCCN2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one?
The InChIKey is SNZGENNJCQZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c24-22-21(17-26-29(23(22)30)20-9-5-2-6-10-20)25-11-12-27-13-15-28(16-14-27)18-19-7-3-1-4-8-19/h1-10,17,25H,11-16,18H2.
What are the key properties of 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one?
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one has a molecular weight of 423.95 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one is sourced from PubChem (CID 17489044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).