N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide

C6H6ClN3O2 — CID 68936055

IUPACN-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide
SMILESCC(=O)Nc1c(Cl)cn[nH]c1=O
InChIInChI=1S/C6H6ClN3O2/c1-3(11)9-5-4(7)2-8-10-6(5)12/h2H,1H3,(H,10,12)(H,8,9,11)
InChIKeyBSNWYXWDKMEJGM-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.38
Rot. Bonds1

About N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide

N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide (PubChem CID 68936055) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide
PubChem CID68936055
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC NameN-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide
SMILESCC(=O)Nc1c(Cl)cn[nH]c1=O
InChIInChI=1S/C6H6ClN3O2/c1-3(11)9-5-4(7)2-8-10-6(5)12/h2H,1H3,(H,10,12)(H,8,9,11)
InChIKeyBSNWYXWDKMEJGM-UHFFFAOYSA-N
XLogP0.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide?
The IUPAC name of N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide (CID 68936055) is N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide?
The canonical SMILES for N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide is CC(=O)Nc1c(Cl)cn[nH]c1=O.
What is the InChIKey of N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide?
The InChIKey is BSNWYXWDKMEJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-3(11)9-5-4(7)2-8-10-6(5)12/h2H,1H3,(H,10,12)(H,8,9,11).
What are the key properties of N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide?
N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide has a molecular weight of 187.59 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-oxo-1H-pyridazin-5-yl)acetamide is sourced from PubChem (CID 68936055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).