4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one

C15H17ClN4O2 — CID 94948965

IUPAC4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCOc1ccccc1N1CCN(c2c(Cl)cn[nH]c2=O)CC1
InChIInChI=1S/C15H17ClN4O2/c1-22-13-5-3-2-4-12(13)19-6-8-20(9-7-19)14-11(16)10-17-18-15(14)21/h2-5,10H,6-9H2,1H3,(H,18,21)
InChIKeyYDDWIKUQAYZQJS-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.76
Rot. Bonds3

About 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one

4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 94948965) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID94948965
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCOc1ccccc1N1CCN(c2c(Cl)cn[nH]c2=O)CC1
InChIInChI=1S/C15H17ClN4O2/c1-22-13-5-3-2-4-12(13)19-6-8-20(9-7-19)14-11(16)10-17-18-15(14)21/h2-5,10H,6-9H2,1H3,(H,18,21)
InChIKeyYDDWIKUQAYZQJS-UHFFFAOYSA-N
XLogP1.76
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-1,2,4-triazine-3-thione
CID 23412211
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
5-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135762505
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
3-chloro-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1H-pyridazin-6-one
CID 14726465
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione
CID 139780418
4-chloro-5-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138484167
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
CID 142648010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one (CID 94948965) is 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one is COc1ccccc1N1CCN(c2c(Cl)cn[nH]c2=O)CC1.
What is the InChIKey of 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is YDDWIKUQAYZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-22-13-5-3-2-4-12(13)19-6-8-20(9-7-19)14-11(16)10-17-18-15(14)21/h2-5,10H,6-9H2,1H3,(H,18,21).
What are the key properties of 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one?
4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 320.78 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 94948965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).