(3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C17H20ClN5O — CID 71807493

IUPAC(3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C17H20ClN5O/c1-21(2)15-11-16(20-19-12-15)22-6-8-23(9-7-22)17(24)13-4-3-5-14(18)10-13/h3-5,10-12H,6-9H2,1-2H3
InChIKeyMCBOIFXYBTYBNO-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.16
Rot. Bonds3

About (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

(3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 71807493) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID71807493
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name(3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C17H20ClN5O/c1-21(2)15-11-16(20-19-12-15)22-6-8-23(9-7-22)17(24)13-4-3-5-14(18)10-13/h3-5,10-12H,6-9H2,1-2H3
InChIKeyMCBOIFXYBTYBNO-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 71807493) is (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CN(C)c1cnnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is MCBOIFXYBTYBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-21(2)15-11-16(20-19-12-15)22-6-8-23(9-7-22)17(24)13-4-3-5-14(18)10-13/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 345.83 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 71807493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).