4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one

C18H23ClN4O — CID 19245616

IUPAC4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one
SMILESCCn1ncc(N2CCN(c3cccc(C)c3C)CC2)c(Cl)c1=O
InChIInChI=1S/C18H23ClN4O/c1-4-23-18(24)17(19)16(12-20-23)22-10-8-21(9-11-22)15-7-5-6-13(2)14(15)3/h5-7,12H,4,8-11H2,1-3H3
InChIKeyIRZSUMRBURSCHA-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one

4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one (PubChem CID 19245616) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one
PubChem CID19245616
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one
SMILESCCn1ncc(N2CCN(c3cccc(C)c3C)CC2)c(Cl)c1=O
InChIInChI=1S/C18H23ClN4O/c1-4-23-18(24)17(19)16(12-20-23)22-10-8-21(9-11-22)15-7-5-6-13(2)14(15)3/h5-7,12H,4,8-11H2,1-3H3
InChIKeyIRZSUMRBURSCHA-UHFFFAOYSA-N
XLogP2.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549177
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 114446594
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one
CID 19245531
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
methyl 2-[4-(4-benzylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1-yl]acetate
CID 16763812
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988492
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245547
3-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62728459
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 46056295

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one (CID 19245616) is 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one is CCn1ncc(N2CCN(c3cccc(C)c3C)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one?
The InChIKey is IRZSUMRBURSCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-4-23-18(24)17(19)16(12-20-23)22-10-8-21(9-11-22)15-7-5-6-13(2)14(15)3/h5-7,12H,4,8-11H2,1-3H3.
What are the key properties of 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one?
4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one has a molecular weight of 346.86 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one is sourced from PubChem (CID 19245616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).