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

C12H12ClFN6O — CID 175651599

IUPAC5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(c3ncncc3F)CC2)c1Cl
InChIInChI=1S/C12H12ClFN6O/c13-10-9(6-17-18-12(10)21)19-1-3-20(4-2-19)11-8(14)5-15-7-16-11/h5-7H,1-4H2,(H,18,21)
InChIKeyUWQCGYYSQXEORJ-UHFFFAOYSA-N
MW310.72 g/mol
LogP0.68
Rot. Bonds2

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

5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 175651599) has the molecular formula C12H12ClFN6O and a molecular weight of 310.72 g/mol. Its IUPAC name is 5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID175651599
Molecular FormulaC12H12ClFN6O
Molecular Weight310.72 g/mol
Exact Mass310.07
IUPAC Name5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(c3ncncc3F)CC2)c1Cl
InChIInChI=1S/C12H12ClFN6O/c13-10-9(6-17-18-12(10)21)19-1-3-20(4-2-19)11-8(14)5-15-7-16-11/h5-7H,1-4H2,(H,18,21)
InChIKeyUWQCGYYSQXEORJ-UHFFFAOYSA-N
XLogP0.68
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(cyclopropylmethyl)-5-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 171999784
5-chloro-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 26448464
5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483856
5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 175651574
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 43037913
5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one
CID 26436355
5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one
CID 133330747
5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
CID 138484365
5-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one
CID 134038856
5-chloro-4-(4-methylazepan-1-yl)-1H-pyridazin-6-one
CID 71935982
4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine
CID 175648838

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (CID 175651599) is 5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(c3ncncc3F)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is UWQCGYYSQXEORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN6O/c13-10-9(6-17-18-12(10)21)19-1-3-20(4-2-19)11-8(14)5-15-7-16-11/h5-7H,1-4H2,(H,18,21).
What are the key properties of 5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 310.72 g/mol, XLogP of 0.68, 2 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-fluoropyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 175651599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).