4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one

C17H21ClN4O2 — CID 31921656

IUPAC4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCOCCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C17H21ClN4O2/c1-24-12-11-20-7-9-21(10-8-20)15-13-19-22(17(23)16(15)18)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeySOKKAKOZNRUCRK-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.65
Rot. Bonds5

About 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 31921656) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID31921656
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCOCCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C17H21ClN4O2/c1-24-12-11-20-7-9-21(10-8-20)15-13-19-22(17(23)16(15)18)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeySOKKAKOZNRUCRK-UHFFFAOYSA-N
XLogP1.65
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 31921656) is 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one is COCCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is SOKKAKOZNRUCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-24-12-11-20-7-9-21(10-8-20)15-13-19-22(17(23)16(15)18)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 348.83 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 31921656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).