2-chloro-N-(pyridazin-3-ylmethyl)acetamide

C7H8ClN3O — CID 106895472

IUPAC2-chloro-N-(pyridazin-3-ylmethyl)acetamide
SMILESO=C(CCl)NCc1cccnn1
InChIInChI=1S/C7H8ClN3O/c8-4-7(12)9-5-6-2-1-3-10-11-6/h1-3H,4-5H2,(H,9,12)
InChIKeyHEDVUQXNSUNBQY-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.33
Rot. Bonds3

About 2-chloro-N-(pyridazin-3-ylmethyl)acetamide

2-chloro-N-(pyridazin-3-ylmethyl)acetamide (PubChem CID 106895472) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-N-(pyridazin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(pyridazin-3-ylmethyl)acetamide
PubChem CID106895472
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name2-chloro-N-(pyridazin-3-ylmethyl)acetamide
SMILESO=C(CCl)NCc1cccnn1
InChIInChI=1S/C7H8ClN3O/c8-4-7(12)9-5-6-2-1-3-10-11-6/h1-3H,4-5H2,(H,9,12)
InChIKeyHEDVUQXNSUNBQY-UHFFFAOYSA-N
XLogP0.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.33
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

2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
3-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)propanamide
CID 106896105
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896069
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106896210
2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide
CID 106896052
5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 106895536
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridazin-3-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(pyridazin-3-ylmethyl)acetamide (CID 106895472) is 2-chloro-N-(pyridazin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(pyridazin-3-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(pyridazin-3-ylmethyl)acetamide is O=C(CCl)NCc1cccnn1.
What is the InChIKey of 2-chloro-N-(pyridazin-3-ylmethyl)acetamide?
The InChIKey is HEDVUQXNSUNBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-4-7(12)9-5-6-2-1-3-10-11-6/h1-3H,4-5H2,(H,9,12).
What are the key properties of 2-chloro-N-(pyridazin-3-ylmethyl)acetamide?
2-chloro-N-(pyridazin-3-ylmethyl)acetamide has a molecular weight of 185.61 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridazin-3-ylmethyl)acetamide is sourced from PubChem (CID 106895472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).