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

C10H13ClN4O2 — CID 90017510

IUPAC6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cc(=O)n(C)nc2Cl)CC1=O
InChIInChI=1S/C10H13ClN4O2/c1-13-3-4-15(6-9(13)17)7-5-8(16)14(2)12-10(7)11/h5H,3-4,6H2,1-2H3
InChIKeyFJTKNXIBGNWZOL-UHFFFAOYSA-N
MW256.69 g/mol
LogP-0.29
Rot. Bonds1

About 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one

6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one (PubChem CID 90017510) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one
PubChem CID90017510
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cc(=O)n(C)nc2Cl)CC1=O
InChIInChI=1S/C10H13ClN4O2/c1-13-3-4-15(6-9(13)17)7-5-8(16)14(2)12-10(7)11/h5H,3-4,6H2,1-2H3
InChIKeyFJTKNXIBGNWZOL-UHFFFAOYSA-N
XLogP-0.29
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one (CID 90017510) is 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cc(=O)n(C)nc2Cl)CC1=O.
What is the InChIKey of 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one?
The InChIKey is FJTKNXIBGNWZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-13-3-4-15(6-9(13)17)7-5-8(16)14(2)12-10(7)11/h5H,3-4,6H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one?
6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one has a molecular weight of 256.69 g/mol, XLogP of -0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-5-(4-methyl-3-oxopiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 90017510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).