5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one

C16H17ClN4O2 — CID 9279360

IUPAC5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one
SMILESCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C16H17ClN4O2/c1-12(22)19-7-9-20(10-8-19)14-11-18-21(16(23)15(14)17)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyILGDGEZHNYWLTP-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.55
Rot. Bonds2

About 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one

5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one (PubChem CID 9279360) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one
PubChem CID9279360
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one
SMILESCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C16H17ClN4O2/c1-12(22)19-7-9-20(10-8-19)14-11-18-21(16(23)15(14)17)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyILGDGEZHNYWLTP-UHFFFAOYSA-N
XLogP1.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one (CID 9279360) is 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one is CC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one?
The InChIKey is ILGDGEZHNYWLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-12(22)19-7-9-20(10-8-19)14-11-18-21(16(23)15(14)17)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one?
5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one has a molecular weight of 332.79 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-4-chloro-2-phenylpyridazin-3-one is sourced from PubChem (CID 9279360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).