N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide

C11H16BrN3O — CID 104672507

IUPACN-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(C)CCBr
InChIInChI=1S/C11H16BrN3O/c1-4-10-9(7-8(2)13-14-10)11(16)15(3)6-5-12/h7H,4-6H2,1-3H3
InChIKeyJZHVPVBXXVKSHC-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.81
Rot. Bonds4

About N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide

N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide (PubChem CID 104672507) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
PubChem CID104672507
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(C)CCBr
InChIInChI=1S/C11H16BrN3O/c1-4-10-9(7-8(2)13-14-10)11(16)15(3)6-5-12/h7H,4-6H2,1-3H3
InChIKeyJZHVPVBXXVKSHC-UHFFFAOYSA-N
XLogP1.81
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488
3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104625733
N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847967
N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104669113
N-(2-chloroethyl)-3-ethyl-6-methyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672454
3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
CID 104669492
N-[[4-(bromomethyl)phenyl]methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107233817
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 104669777
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107493584
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556
methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
CID 104624340
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide (CID 104672507) is N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)N(C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide?
The InChIKey is JZHVPVBXXVKSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-4-10-9(7-8(2)13-14-10)11(16)15(3)6-5-12/h7H,4-6H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide?
N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104672507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).