6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid

C18H20N4O3 — CID 66849794

IUPAC6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccc(C(=O)O)nn3)CC2)c1
InChIInChI=1S/C18H20N4O3/c1-12-3-4-13(2)14(11-12)17(23)22-9-7-21(8-10-22)16-6-5-15(18(24)25)19-20-16/h3-6,11H,7-10H2,1-2H3,(H,24,25)
InChIKeyDZFDOTDMFIBXMV-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.75
Rot. Bonds3

About 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid

6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 66849794) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
PubChem CID66849794
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccc(C(=O)O)nn3)CC2)c1
InChIInChI=1S/C18H20N4O3/c1-12-3-4-13(2)14(11-12)17(23)22-9-7-21(8-10-22)16-6-5-15(18(24)25)19-20-16/h3-6,11H,7-10H2,1-2H3,(H,24,25)
InChIKeyDZFDOTDMFIBXMV-UHFFFAOYSA-N
XLogP1.75
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053805
(2,4-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053795
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702820
(2,5-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699516
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67422287
6-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138382841
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348584
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
N-(2,4-dimethylphenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66850169

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid (CID 66849794) is 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid is Cc1ccc(C)c(C(=O)N2CCN(c3ccc(C(=O)O)nn3)CC2)c1.
What is the InChIKey of 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is DZFDOTDMFIBXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-3-4-13(2)14(11-12)17(23)22-9-7-21(8-10-22)16-6-5-15(18(24)25)19-20-16/h3-6,11H,7-10H2,1-2H3,(H,24,25).
What are the key properties of 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66849794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).