1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone

C18H23N5O — CID 71807495

IUPAC1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H23N5O/c1-21(2)16-13-17(20-19-14-16)22-8-10-23(11-9-22)18(24)12-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyUZNHHKWFLFHPCH-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.43
Rot. Bonds4

About 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone (PubChem CID 71807495) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
PubChem CID71807495
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H23N5O/c1-21(2)16-13-17(20-19-14-16)22-8-10-23(11-9-22)18(24)12-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyUZNHHKWFLFHPCH-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone (CID 71807495) is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone is CN(C)c1cnnc(N2CCN(C(=O)Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is UZNHHKWFLFHPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21(2)16-13-17(20-19-14-16)22-8-10-23(11-9-22)18(24)12-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone?
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 325.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 71807495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).