3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride

C17H23Cl2N5O — CID 119953611

IUPAC3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCl.Cl.NC(CC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1
InChIInChI=1S/C17H21N5O.2ClH/c18-15(14-5-2-1-3-6-14)13-17(23)22-11-9-21(10-12-22)16-7-4-8-19-20-16;;/h1-8,15H,9-13,18H2;2*1H
InChIKeyYLHQRSDVKISYKI-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride

3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 119953611) has the molecular formula C17H23Cl2N5O and a molecular weight of 384.31 g/mol. Its IUPAC name is 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID119953611
Molecular FormulaC17H23Cl2N5O
Molecular Weight384.31 g/mol
Exact Mass383.13
IUPAC Name3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCl.Cl.NC(CC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1
InChIInChI=1S/C17H21N5O.2ClH/c18-15(14-5-2-1-3-6-14)13-17(23)22-11-9-21(10-12-22)16-7-4-8-19-20-16;;/h1-8,15H,9-13,18H2;2*1H
InChIKeyYLHQRSDVKISYKI-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
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3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731
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3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
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3-amino-3-phenyl-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride
CID 119954179
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CID 86894393
2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-one
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3-amino-3-phenyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 119953404
(2S)-2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-one
CID 98694188
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 119953611) is 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride is Cl.Cl.NC(CC(=O)N1CCN(c2cccnn2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is YLHQRSDVKISYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O.2ClH/c18-15(14-5-2-1-3-6-14)13-17(23)22-11-9-21(10-12-22)16-7-4-8-19-20-16;;/h1-8,15H,9-13,18H2;2*1H.
What are the key properties of 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 384.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 119953611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).