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

C9H14ClN3O — CID 779347

IUPAC4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-6(2)4-11-7-5-12-13(3)9(14)8(7)10/h5-6,11H,4H2,1-3H3
InChIKeyUGFPHCFBWCVYNZ-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.50
Rot. Bonds3

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

4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one (PubChem CID 779347) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one
PubChem CID779347
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-6(2)4-11-7-5-12-13(3)9(14)8(7)10/h5-6,11H,4H2,1-3H3
InChIKeyUGFPHCFBWCVYNZ-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.50
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-(2-methylpropylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one (CID 779347) is 4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one is CC(C)CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one?
The InChIKey is UGFPHCFBWCVYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(2)4-11-7-5-12-13(3)9(14)8(7)10/h5-6,11H,4H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(2-methylpropylamino)pyridazin-3-one has a molecular weight of 215.68 g/mol, XLogP of 1.50, 3 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-(2-methylpropylamino)pyridazin-3-one is sourced from PubChem (CID 779347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).