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

C7H10ClN3O — CID 164902769

IUPAC4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one
SMILESCNCc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-9-3-5-4-10-11(2)7(12)6(5)8/h4,9H,3H2,1-2H3
InChIKeyOLAJDOCSXQCLSY-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.15
Rot. Bonds2

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

4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one (PubChem CID 164902769) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one
PubChem CID164902769
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one
SMILESCNCc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-9-3-5-4-10-11(2)7(12)6(5)8/h4,9H,3H2,1-2H3
InChIKeyOLAJDOCSXQCLSY-UHFFFAOYSA-N
XLogP0.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.15
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-(methylaminomethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one (CID 164902769) is 4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one is CNCc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one?
The InChIKey is OLAJDOCSXQCLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-9-3-5-4-10-11(2)7(12)6(5)8/h4,9H,3H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one?
4-chloro-2-methyl-5-(methylaminomethyl)pyridazin-3-one has a molecular weight of 187.63 g/mol, XLogP of 0.15, 2 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-(methylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 164902769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).