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

C14H16BrN3 — CID 106550689

IUPACN-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine
SMILESCc1cnnc(N(CCBr)Cc2ccccc2)c1
InChIInChI=1S/C14H16BrN3/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
InChIKeyYMLDAECJSMOWBV-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.19
Rot. Bonds5

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

N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine (PubChem CID 106550689) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine
PubChem CID106550689
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine
SMILESCc1cnnc(N(CCBr)Cc2ccccc2)c1
InChIInChI=1S/C14H16BrN3/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
InChIKeyYMLDAECJSMOWBV-UHFFFAOYSA-N
XLogP3.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.19
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-chloroethyl)-5-methylpyridazin-3-amine
CID 106550604
2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
CID 106550306
6-(dibenzylamino)pyridazine-4-carboxylic acid
CID 131034527
N-benzyl-N-(2-bromoethyl)-1,3,4-thiadiazol-2-amine
CID 80675397
N-benzyl-N-(2-bromoethyl)-3-methylpyridin-2-amine
CID 80675179
N-benzyl-N-(2-bromoethyl)-4-methyl-1,3-thiazol-2-amine
CID 80674189
3-[benzyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82317310
N-benzyl-N-(2-chloroethyl)-6-methylpyridazin-3-amine
CID 55183680
N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine
CID 80674401
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
N-benzyl-2-bromo-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 80679693
N-benzyl-N-(2-bromoethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 80674289

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine?
The IUPAC name of N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine (CID 106550689) is N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine is Cc1cnnc(N(CCBr)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine?
The InChIKey is YMLDAECJSMOWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/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-bromoethyl)-5-methylpyridazin-3-amine?
N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine has a molecular weight of 306.21 g/mol, XLogP of 3.19, 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-bromoethyl)-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).