4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one

C8H12ClN3O — CID 115579930

IUPAC4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-5(2)11-6-4-10-12(3)8(13)7(6)9/h4-5,11H,1-3H3
InChIKeyZBGVMZCTTBBSOI-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.25
Rot. Bonds2

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

4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 115579930) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID115579930
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-5(2)11-6-4-10-12(3)8(13)7(6)9/h4-5,11H,1-3H3
InChIKeyZBGVMZCTTBBSOI-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.25
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-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one (CID 115579930) is 4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is ZBGVMZCTTBBSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5(2)11-6-4-10-12(3)8(13)7(6)9/h4-5,11H,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 201.66 g/mol, XLogP of 1.25, 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-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 115579930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).