4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide

C10H16N4O2 — CID 103218428

IUPAC4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1ncc(N)cc1=O
InChIInChI=1S/C10H16N4O2/c1-13(2)9(15)4-3-5-14-10(16)6-8(11)7-12-14/h6-7H,3-5,11H2,1-2H3
InChIKeyWDAGGVSPILHZKY-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.31
Rot. Bonds4

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

4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide (PubChem CID 103218428) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide
PubChem CID103218428
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1ncc(N)cc1=O
InChIInChI=1S/C10H16N4O2/c1-13(2)9(15)4-3-5-14-10(16)6-8(11)7-12-14/h6-7H,3-5,11H2,1-2H3
InChIKeyWDAGGVSPILHZKY-UHFFFAOYSA-N
XLogP-0.31
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide (CID 103218428) is 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1ncc(N)cc1=O.
What is the InChIKey of 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide?
The InChIKey is WDAGGVSPILHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13(2)9(15)4-3-5-14-10(16)6-8(11)7-12-14/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide?
4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide has a molecular weight of 224.26 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-oxopyridazin-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 103218428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).