3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide

C9H14N4O2 — CID 103218425

IUPAC3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ncc(N)cc1=O
InChIInChI=1S/C9H14N4O2/c1-12(2)8(14)3-4-13-9(15)5-7(10)6-11-13/h5-6H,3-4,10H2,1-2H3
InChIKeyJFRANKHLFGNPMV-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.70
Rot. Bonds3

About 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide

3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide (PubChem CID 103218425) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide
PubChem CID103218425
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ncc(N)cc1=O
InChIInChI=1S/C9H14N4O2/c1-12(2)8(14)3-4-13-9(15)5-7(10)6-11-13/h5-6H,3-4,10H2,1-2H3
InChIKeyJFRANKHLFGNPMV-UHFFFAOYSA-N
XLogP-0.70
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide (CID 103218425) is 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCn1ncc(N)cc1=O.
What is the InChIKey of 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is JFRANKHLFGNPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12(2)8(14)3-4-13-9(15)5-7(10)6-11-13/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide?
3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 210.24 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 103218425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).