4-chloro-2-methyl-5-(methylamino)pyridazin-3-one

C6H8ClN3O — CID 10631053

IUPAC4-chloro-2-methyl-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3
InChIKeyACZYSEPOODWZET-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.48
Rot. Bonds1

About 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one

4-chloro-2-methyl-5-(methylamino)pyridazin-3-one (PubChem CID 10631053) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(methylamino)pyridazin-3-one
PubChem CID10631053
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name4-chloro-2-methyl-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3
InChIKeyACZYSEPOODWZET-UHFFFAOYSA-N
XLogP0.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one (CID 10631053) is 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one is CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one?
The InChIKey is ACZYSEPOODWZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(methylamino)pyridazin-3-one has a molecular weight of 173.60 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 10631053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).