5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one

C10H15ClN4O — CID 80746315

IUPAC5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one
SMILESCC1(C)CNCCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O/c1-10(2)6-12-3-4-15(10)7-5-13-14-9(16)8(7)11/h5,12H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyIVKHFKCMMXKQSN-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.61
Rot. Bonds1

About 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one

5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one (PubChem CID 80746315) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one
PubChem CID80746315
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one
SMILESCC1(C)CNCCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O/c1-10(2)6-12-3-4-15(10)7-5-13-14-9(16)8(7)11/h5,12H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyIVKHFKCMMXKQSN-UHFFFAOYSA-N
XLogP0.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one (CID 80746315) is 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one is CC1(C)CNCCN1c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one?
The InChIKey is IVKHFKCMMXKQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-10(2)6-12-3-4-15(10)7-5-13-14-9(16)8(7)11/h5,12H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one?
5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 80746315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).