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

C13H20N4O2 — CID 103220022

IUPAC4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-16(2)12(18)4-3-7-17-13(19)8-11(9-14-17)15-10-5-6-10/h8-10,15H,3-7H2,1-2H3
InChIKeyDVQPIMFPPLJSET-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds6

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

4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide (PubChem CID 103220022) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide
PubChem CID103220022
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-16(2)12(18)4-3-7-17-13(19)8-11(9-14-17)15-10-5-6-10/h8-10,15H,3-7H2,1-2H3
InChIKeyDVQPIMFPPLJSET-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 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide (CID 103220022) is 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide?
The InChIKey is DVQPIMFPPLJSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(2)12(18)4-3-7-17-13(19)8-11(9-14-17)15-10-5-6-10/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide?
4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide 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 4-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 103220022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).