2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride

C16H19ClN4O2 — CID 119403547

IUPAC2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
SMILESCl.O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCNCC1
InChIInChI=1S/C16H18N4O2.ClH/c21-15-7-6-14(16(22)19-10-8-17-9-11-19)18-20(15)12-13-4-2-1-3-5-13;/h1-7,17H,8-12H2;1H
InChIKeyIXONRCOMHWWULS-UHFFFAOYSA-N
MW334.81 g/mol
LogP0.76
Rot. Bonds3

About 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride

2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride (PubChem CID 119403547) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
PubChem CID119403547
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
SMILESCl.O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCNCC1
InChIInChI=1S/C16H18N4O2.ClH/c21-15-7-6-14(16(22)19-10-8-17-9-11-19)18-20(15)12-13-4-2-1-3-5-13;/h1-7,17H,8-12H2;1H
InChIKeyIXONRCOMHWWULS-UHFFFAOYSA-N
XLogP0.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 112763043
2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 39712553
1-(1-benzyl-6-oxopyridazine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256456
1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride
CID 119453902
3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 17393806
2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 9415255
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one
CID 86877419
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418
2-benzyl-6-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 112814496
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride?
The IUPAC name of 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride (CID 119403547) is 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride is Cl.O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCNCC1.
What is the InChIKey of 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride?
The InChIKey is IXONRCOMHWWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.ClH/c21-15-7-6-14(16(22)19-10-8-17-9-11-19)18-20(15)12-13-4-2-1-3-5-13;/h1-7,17H,8-12H2;1H.
What are the key properties of 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride?
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride is sourced from PubChem (CID 119403547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).