6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one

C18H21ClN4O2 — CID 121066902

IUPAC6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1=O
InChIInChI=1S/C18H21ClN4O2/c1-3-23-17(24)7-6-15(20-23)18(25)22-10-8-21(9-11-22)16-12-14(19)5-4-13(16)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyZENKNLXZMKNAIH-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.19
Rot. Bonds3

About 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one

6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one (PubChem CID 121066902) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one
PubChem CID121066902
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1=O
InChIInChI=1S/C18H21ClN4O2/c1-3-23-17(24)7-6-15(20-23)18(25)22-10-8-21(9-11-22)16-12-14(19)5-4-13(16)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyZENKNLXZMKNAIH-UHFFFAOYSA-N
XLogP2.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 121066958
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147424
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 119829101
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 35678508
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 55879910
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one
CID 15996575
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
(5-amino-2-methylphenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120639560

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one?
The IUPAC name of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one (CID 121066902) is 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one?
The canonical SMILES for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one is CCn1nc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1=O.
What is the InChIKey of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one?
The InChIKey is ZENKNLXZMKNAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-3-23-17(24)7-6-15(20-23)18(25)22-10-8-21(9-11-22)16-12-14(19)5-4-13(16)2/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one?
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one has a molecular weight of 360.85 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one is sourced from PubChem (CID 121066902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).