(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C17H20ClN5O — CID 122350587

IUPAC(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCNc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C17H20ClN5O/c1-2-19-15-7-8-16(21-20-15)22-9-11-23(12-10-22)17(24)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,20)
InChIKeyDISHCVMBJSPWOG-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.52
Rot. Bonds4

About (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122350587) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122350587
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCNc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C17H20ClN5O/c1-2-19-15-7-8-16(21-20-15)22-9-11-23(12-10-22)17(24)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,20)
InChIKeyDISHCVMBJSPWOG-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 122350608
2-(4-chlorophenoxy)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 122350617
(2,6-difluorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350588
(4-chlorophenyl)-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053623
3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350889
2-(2-chloro-6-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122350887
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350969
(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053660
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122350587) is (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CCNc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1.
What is the InChIKey of (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is DISHCVMBJSPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-2-19-15-7-8-16(21-20-15)22-9-11-23(12-10-22)17(24)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,20).
What are the key properties of (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 345.83 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122350587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).