2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide

C8H10ClN3O — CID 126987932

IUPAC2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide
SMILESCc1cc(NC(=O)CCl)nnc1C
InChIInChI=1S/C8H10ClN3O/c1-5-3-7(10-8(13)4-9)12-11-6(5)2/h3H,4H2,1-2H3,(H,10,12,13)
InChIKeyMILOGQUWHGROBS-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.27
Rot. Bonds2

About 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide

2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide (PubChem CID 126987932) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide
PubChem CID126987932
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide
SMILESCc1cc(NC(=O)CCl)nnc1C
InChIInChI=1S/C8H10ClN3O/c1-5-3-7(10-8(13)4-9)12-11-6(5)2/h3H,4H2,1-2H3,(H,10,12,13)
InChIKeyMILOGQUWHGROBS-UHFFFAOYSA-N
XLogP1.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-dimethylpyridazin-3-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 136525992
2-chloro-N-(6-methylpyridazin-3-yl)acetamide
CID 166407156
2-chloro-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 4199160
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
CID 167977680
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
CID 126993024
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
(3aS,7aS)-N-(5,6-dimethylpyridazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 128918379
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide
CID 15087754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide (CID 126987932) is 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide is Cc1cc(NC(=O)CCl)nnc1C.
What is the InChIKey of 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide?
The InChIKey is MILOGQUWHGROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-5-3-7(10-8(13)4-9)12-11-6(5)2/h3H,4H2,1-2H3,(H,10,12,13).
What are the key properties of 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide?
2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide has a molecular weight of 199.64 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide is sourced from PubChem (CID 126987932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).