6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine

C13H13Cl2N3 — CID 61417484

IUPAC6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
SMILESCN(Cc1ccccc1Cl)c1ccc(CCl)nn1
InChIInChI=1S/C13H13Cl2N3/c1-18(9-10-4-2-3-5-12(10)15)13-7-6-11(8-14)16-17-13/h2-7H,8-9H2,1H3
InChIKeyUOMVNFWXXXTGGK-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.51
Rot. Bonds4

About 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine

6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine (PubChem CID 61417484) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
PubChem CID61417484
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
SMILESCN(Cc1ccccc1Cl)c1ccc(CCl)nn1
InChIInChI=1S/C13H13Cl2N3/c1-18(9-10-4-2-3-5-12(10)15)13-7-6-11(8-14)16-17-13/h2-7H,8-9H2,1H3
InChIKeyUOMVNFWXXXTGGK-UHFFFAOYSA-N
XLogP3.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 61412034
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255692
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465732
6-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286059
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071
N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379915
N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 133313300
6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903791
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62288918

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine (CID 61417484) is 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine is CN(Cc1ccccc1Cl)c1ccc(CCl)nn1.
What is the InChIKey of 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine?
The InChIKey is UOMVNFWXXXTGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-18(9-10-4-2-3-5-12(10)15)13-7-6-11(8-14)16-17-13/h2-7H,8-9H2,1H3.
What are the key properties of 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine?
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine has a molecular weight of 282.17 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 61417484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).