5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one

C14H17ClN6O — CID 175651574

IUPAC5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1cnc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)nc1
InChIInChI=1S/C14H17ClN6O/c1-2-10-7-16-14(17-8-10)21-5-3-20(4-6-21)11-9-18-19-13(22)12(11)15/h7-9H,2-6H2,1H3,(H,19,22)
InChIKeyRABQEZYNAQSMQQ-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.10
Rot. Bonds3

About 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 175651574) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID175651574
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1cnc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)nc1
InChIInChI=1S/C14H17ClN6O/c1-2-10-7-16-14(17-8-10)21-5-3-20(4-6-21)11-9-18-19-13(22)12(11)15/h7-9H,2-6H2,1H3,(H,19,22)
InChIKeyRABQEZYNAQSMQQ-UHFFFAOYSA-N
XLogP1.10
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 138484098
ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 145380251
5-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one
CID 134038856
5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 43037913
5-chloro-4-(4-methylazepan-1-yl)-1H-pyridazin-6-one
CID 71935982
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
CID 168923337
5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 175651599
5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483793
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138484033
5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one
CID 26436355
5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472244
5-chloro-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 37101752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one (CID 175651574) is 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one is CCc1cnc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)nc1.
What is the InChIKey of 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is RABQEZYNAQSMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O/c1-2-10-7-16-14(17-8-10)21-5-3-20(4-6-21)11-9-18-19-13(22)12(11)15/h7-9H,2-6H2,1H3,(H,19,22).
What are the key properties of 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 320.78 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 175651574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).