2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide

C13H20N4O2 — CID 103219639

IUPAC2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-3-16(4-2)13(19)9-17-12(18)7-11(8-14-17)15-10-5-6-10/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyUPUHIBJBAKDUED-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds6

About 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide

2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide (PubChem CID 103219639) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
PubChem CID103219639
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-3-16(4-2)13(19)9-17-12(18)7-11(8-14-17)15-10-5-6-10/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyUPUHIBJBAKDUED-UHFFFAOYSA-N
XLogP0.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide (CID 103219639) is 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide?
The InChIKey is UPUHIBJBAKDUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-16(4-2)13(19)9-17-12(18)7-11(8-14-17)15-10-5-6-10/h7-8,10,15H,3-6,9H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide?
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide has a molecular weight of 264.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 103219639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).