(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H16Cl2N4OS — CID 121058643

IUPAC(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H16Cl2N4OS/c20-14-10-13(11-15(21)12-14)19(26)25-7-5-24(6-8-25)18-4-3-16(22-23-18)17-2-1-9-27-17/h1-4,9-12H,5-8H2
InChIKeyKGXMJQLSTPENNI-UHFFFAOYSA-N
MW419.34 g/mol
LogP4.47
Rot. Bonds3

About (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121058643) has the molecular formula C19H16Cl2N4OS and a molecular weight of 419.34 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121058643
Molecular FormulaC19H16Cl2N4OS
Molecular Weight419.34 g/mol
Exact Mass418.04
IUPAC Name(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H16Cl2N4OS/c20-14-10-13(11-15(21)12-14)19(26)25-7-5-24(6-8-25)18-4-3-16(22-23-18)17-2-1-9-27-17/h1-4,9-12H,5-8H2
InChIKeyKGXMJQLSTPENNI-UHFFFAOYSA-N
XLogP4.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121058643) is (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is KGXMJQLSTPENNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4OS/c20-14-10-13(11-15(21)12-14)19(26)25-7-5-24(6-8-25)18-4-3-16(22-23-18)17-2-1-9-27-17/h1-4,9-12H,5-8H2.
What are the key properties of (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 419.34 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121058643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).