5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one

C7H8ClN3O2 — CID 102000938

IUPAC5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C7H8ClN3O2/c1-4(12)3-11-7(13)6(8)5(9)2-10-11/h2H,3,9H2,1H3
InChIKeyPSUJMTHOSKNOJJ-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.07
Rot. Bonds2

About 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one

5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 102000938) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one
PubChem CID102000938
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C7H8ClN3O2/c1-4(12)3-11-7(13)6(8)5(9)2-10-11/h2H,3,9H2,1H3
InChIKeyPSUJMTHOSKNOJJ-UHFFFAOYSA-N
XLogP0.07
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one (CID 102000938) is 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1ncc(N)c(Cl)c1=O.
What is the InChIKey of 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is PSUJMTHOSKNOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-4(12)3-11-7(13)6(8)5(9)2-10-11/h2H,3,9H2,1H3.
What are the key properties of 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one?
5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 201.61 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 102000938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).