2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide

C13H21N5O — CID 133489644

IUPAC2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(C)c(C)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-10-8-12(16-15-11(10)2)18-6-4-17(5-7-18)9-13(19)14-3/h8H,4-7,9H2,1-3H3,(H,14,19)
InChIKeySEVTVEGKSWEBJX-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.04
Rot. Bonds3

About 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide

2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide (PubChem CID 133489644) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide
PubChem CID133489644
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(C)c(C)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-10-8-12(16-15-11(10)2)18-6-4-17(5-7-18)9-13(19)14-3/h8H,4-7,9H2,1-3H3,(H,14,19)
InChIKeySEVTVEGKSWEBJX-UHFFFAOYSA-N
XLogP-0.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 47159148
2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 133367985
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592
N-methyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]acetamide
CID 51301192
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol
CID 21077795
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 51561809
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133416212
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide (CID 133489644) is 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2cc(C)c(C)nn2)CC1.
What is the InChIKey of 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is SEVTVEGKSWEBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-8-12(16-15-11(10)2)18-6-4-17(5-7-18)9-13(19)14-3/h8H,4-7,9H2,1-3H3,(H,14,19).
What are the key properties of 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide?
2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 263.34 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 133489644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).