N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine

C14H16ClN3 — CID 106550604

IUPACN-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine
SMILESCc1cnnc(N(CCCl)Cc2ccccc2)c1
InChIInChI=1S/C14H16ClN3/c1-12-9-14(17-16-10-12)18(8-7-15)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyMLHNNGBNRRNNBC-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.03
Rot. Bonds5

About N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine

N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine (PubChem CID 106550604) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine
PubChem CID106550604
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine
SMILESCc1cnnc(N(CCCl)Cc2ccccc2)c1
InChIInChI=1S/C14H16ClN3/c1-12-9-14(17-16-10-12)18(8-7-15)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyMLHNNGBNRRNNBC-UHFFFAOYSA-N
XLogP3.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.03
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

N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine
CID 106550689
N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine
CID 55183680
N-benzyl-N-(2-chloroethyl)phthalazin-1-amine
CID 63388439
2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
CID 106550306
6-(dibenzylamino)pyridazine-4-carboxylic acid
CID 131034527
N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine
CID 106550626
N-benzyl-N-(2-chloroethyl)-6-propan-2-yloxypyrimidin-4-amine
CID 66331834
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
3-[benzyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82317310
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
3-[[methyl-(5-methylpyridazin-3-yl)amino]methyl]benzenecarbothioamide
CID 106549304
5-N-benzyl-5-N-ethyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951614

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine?
The IUPAC name of N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine (CID 106550604) is N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine is Cc1cnnc(N(CCCl)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine?
The InChIKey is MLHNNGBNRRNNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-12-9-14(17-16-10-12)18(8-7-15)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine?
N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine has a molecular weight of 261.76 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).