2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide

C11H17ClN4O — CID 104513608

IUPAC2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c1-4-16(8-11(17)15(2)3)7-9-5-6-10(12)14-13-9/h5-6H,4,7-8H2,1-3H3
InChIKeyVVFQMAAWSJWBGS-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.04
Rot. Bonds5

About 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide

2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 104513608) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide
PubChem CID104513608
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c1-4-16(8-11(17)15(2)3)7-9-5-6-10(12)14-13-9/h5-6H,4,7-8H2,1-3H3
InChIKeyVVFQMAAWSJWBGS-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
CID 104513518
N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine
CID 104513592
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 60858877
2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 103056034
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 104513798
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
CID 104513610
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 63587654
2-[(4-carbamothioyl-2-chlorophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 102666131
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 104513833
(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide
CID 66568908

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide (CID 104513608) is 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1ccc(Cl)nn1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is VVFQMAAWSJWBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-4-16(8-11(17)15(2)3)7-9-5-6-10(12)14-13-9/h5-6H,4,7-8H2,1-3H3.
What are the key properties of 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide?
2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 256.74 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 104513608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).