4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one

C13H15ClN6O2 — CID 133336960

IUPAC4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
SMILESCn1cc(N2CCN(c3cnn(C)c(=O)c3Cl)CC2=O)cn1
InChIInChI=1S/C13H15ClN6O2/c1-17-7-9(5-15-17)20-4-3-19(8-11(20)21)10-6-16-18(2)13(22)12(10)14/h5-7H,3-4,8H2,1-2H3
InChIKeyBDFWWQIVZMPANF-UHFFFAOYSA-N
MW322.76 g/mol
LogP0.02
Rot. Bonds2

About 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one

4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one (PubChem CID 133336960) has the molecular formula C13H15ClN6O2 and a molecular weight of 322.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
PubChem CID133336960
Molecular FormulaC13H15ClN6O2
Molecular Weight322.76 g/mol
Exact Mass322.09
IUPAC Name4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
SMILESCn1cc(N2CCN(c3cnn(C)c(=O)c3Cl)CC2=O)cn1
InChIInChI=1S/C13H15ClN6O2/c1-17-7-9(5-15-17)20-4-3-19(8-11(20)21)10-6-16-18(2)13(22)12(10)14/h5-7H,3-4,8H2,1-2H3
InChIKeyBDFWWQIVZMPANF-UHFFFAOYSA-N
XLogP0.02
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336896
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
CID 133336898
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
4-chloro-2-methyl-5-(4-propyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 133314325
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488
4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
CID 171998786

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one (CID 133336960) is 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one is Cn1cc(N2CCN(c3cnn(C)c(=O)c3Cl)CC2=O)cn1.
What is the InChIKey of 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one?
The InChIKey is BDFWWQIVZMPANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O2/c1-17-7-9(5-15-17)20-4-3-19(8-11(20)21)10-6-16-18(2)13(22)12(10)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one?
4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one has a molecular weight of 322.76 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133336960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).