2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide

C8H12N4O2 — CID 116788226

IUPAC2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C8H12N4O2/c1-11(2)8(14)5-12-7(13)4-3-6(9)10-12/h3-4H,5H2,1-2H3,(H2,9,10)
InChIKeyQLMRWVRHUIJLRE-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.09
Rot. Bonds2

About 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide

2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (PubChem CID 116788226) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
PubChem CID116788226
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C8H12N4O2/c1-11(2)8(14)5-12-7(13)4-3-6(9)10-12/h3-4H,5H2,1-2H3,(H2,9,10)
InChIKeyQLMRWVRHUIJLRE-UHFFFAOYSA-N
XLogP-1.09
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (CID 116788226) is 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1nc(N)ccc1=O.
What is the InChIKey of 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The InChIKey is QLMRWVRHUIJLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-11(2)8(14)5-12-7(13)4-3-6(9)10-12/h3-4H,5H2,1-2H3,(H2,9,10).
What are the key properties of 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide has a molecular weight of 196.21 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 116788226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).