4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C10H15ClN4O — CID 17088020

IUPAC4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(C)c(=O)c2Cl)CC1
InChIInChI=1S/C10H15ClN4O/c1-13-3-5-15(6-4-13)8-7-12-14(2)10(16)9(8)11/h7H,3-6H2,1-2H3
InChIKeyRJVUZRLLOFXXGT-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.19
Rot. Bonds1

About 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one

4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 17088020) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID17088020
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(C)c(=O)c2Cl)CC1
InChIInChI=1S/C10H15ClN4O/c1-13-3-5-15(6-4-13)8-7-12-14(2)10(16)9(8)11/h7H,3-6H2,1-2H3
InChIKeyRJVUZRLLOFXXGT-UHFFFAOYSA-N
XLogP0.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 17088020) is 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cnn(C)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is RJVUZRLLOFXXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-13-3-5-15(6-4-13)8-7-12-14(2)10(16)9(8)11/h7H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 242.71 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 17088020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).