2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide

C9H12ClN3O2 — CID 175959874

IUPAC2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)cc1Cl
InChIInChI=1S/C9H12ClN3O2/c1-5(2)9-6(10)3-8(15)13(12-9)4-7(11)14/h3,5H,4H2,1-2H3,(H2,11,14)
InChIKeyPBBUXLQDVJXELD-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.51
Rot. Bonds3

About 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide

2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide (PubChem CID 175959874) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide
PubChem CID175959874
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)cc1Cl
InChIInChI=1S/C9H12ClN3O2/c1-5(2)9-6(10)3-8(15)13(12-9)4-7(11)14/h3,5H,4H2,1-2H3,(H2,11,14)
InChIKeyPBBUXLQDVJXELD-UHFFFAOYSA-N
XLogP0.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide (CID 175959874) is 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide is CC(C)c1nn(CC(N)=O)c(=O)cc1Cl.
What is the InChIKey of 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide?
The InChIKey is PBBUXLQDVJXELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-5(2)9-6(10)3-8(15)13(12-9)4-7(11)14/h3,5H,4H2,1-2H3,(H2,11,14).
What are the key properties of 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide?
2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide has a molecular weight of 229.67 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 175959874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).