2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide

C9H12ClN3O — CID 127017343

IUPAC2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)Cl)nn1
InChIInChI=1S/C9H12ClN3O/c1-6-3-4-8(13-12-6)5-11-9(14)7(2)10/h3-4,7H,5H2,1-2H3,(H,11,14)
InChIKeyLGDBUHBYYKUHFC-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.03
Rot. Bonds3

About 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide

2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide (PubChem CID 127017343) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide
PubChem CID127017343
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)Cl)nn1
InChIInChI=1S/C9H12ClN3O/c1-6-3-4-8(13-12-6)5-11-9(14)7(2)10/h3-4,7H,5H2,1-2H3,(H,11,14)
InChIKeyLGDBUHBYYKUHFC-UHFFFAOYSA-N
XLogP1.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.03
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-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
CID 130901261
2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
CID 131066900
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737958
1-(6-methylpyridazin-3-yl)propan-2-ol
CID 55161825
2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide
CID 77144650
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide
CID 110737899
2-methyl-N-[(6-methylpyridazin-3-yl)methyl]propan-2-amine
CID 130987029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide (CID 127017343) is 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)Cl)nn1.
What is the InChIKey of 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The InChIKey is LGDBUHBYYKUHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6-3-4-8(13-12-6)5-11-9(14)7(2)10/h3-4,7H,5H2,1-2H3,(H,11,14).
What are the key properties of 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide has a molecular weight of 213.67 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methylpyridazin-3-yl)methyl]propanamide is sourced from PubChem (CID 127017343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).