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

C17H21ClN4O — CID 138484098

IUPAC5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCC(c1ccccc1)N1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C17H21ClN4O/c1-2-14(13-6-4-3-5-7-13)21-8-10-22(11-9-21)15-12-19-20-17(23)16(15)18/h3-7,12,14H,2,8-11H2,1H3,(H,20,23)
InChIKeyGFOXMPLIHJJHPA-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.70
Rot. Bonds4

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

5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138484098) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138484098
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCC(c1ccccc1)N1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C17H21ClN4O/c1-2-14(13-6-4-3-5-7-13)21-8-10-22(11-9-21)15-12-19-20-17(23)16(15)18/h3-7,12,14H,2,8-11H2,1H3,(H,20,23)
InChIKeyGFOXMPLIHJJHPA-UHFFFAOYSA-N
XLogP2.70
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one (CID 138484098) is 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one is CCC(c1ccccc1)N1CCN(c2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is GFOXMPLIHJJHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-2-14(13-6-4-3-5-7-13)21-8-10-22(11-9-21)15-12-19-20-17(23)16(15)18/h3-7,12,14H,2,8-11H2,1H3,(H,20,23).
What are the key properties of 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 332.83 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138484098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).