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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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).