2-(3-amino-6-oxopyridazin-1-yl)butanamide

C8H12N4O2 — CID 116788244

IUPAC2-(3-amino-6-oxopyridazin-1-yl)butanamide
SMILESCCC(C(N)=O)n1nc(N)ccc1=O
InChIInChI=1S/C8H12N4O2/c1-2-5(8(10)14)12-7(13)4-3-6(9)11-12/h3-5H,2H2,1H3,(H2,9,11)(H2,10,14)
InChIKeyNRSVMEVXJNNADM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.74
Rot. Bonds3

About 2-(3-amino-6-oxopyridazin-1-yl)butanamide

2-(3-amino-6-oxopyridazin-1-yl)butanamide (PubChem CID 116788244) 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)butanamide.

Molecular Properties

Compound Name2-(3-amino-6-oxopyridazin-1-yl)butanamide
PubChem CID116788244
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-(3-amino-6-oxopyridazin-1-yl)butanamide
SMILESCCC(C(N)=O)n1nc(N)ccc1=O
InChIInChI=1S/C8H12N4O2/c1-2-5(8(10)14)12-7(13)4-3-6(9)11-12/h3-5H,2H2,1H3,(H2,9,11)(H2,10,14)
InChIKeyNRSVMEVXJNNADM-UHFFFAOYSA-N
XLogP-0.74
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)butanamide?
The IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)butanamide (CID 116788244) is 2-(3-amino-6-oxopyridazin-1-yl)butanamide.
What is the SMILES notation for 2-(3-amino-6-oxopyridazin-1-yl)butanamide?
The canonical SMILES for 2-(3-amino-6-oxopyridazin-1-yl)butanamide is CCC(C(N)=O)n1nc(N)ccc1=O.
What is the InChIKey of 2-(3-amino-6-oxopyridazin-1-yl)butanamide?
The InChIKey is NRSVMEVXJNNADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-5(8(10)14)12-7(13)4-3-6(9)11-12/h3-5H,2H2,1H3,(H2,9,11)(H2,10,14).
What are the key properties of 2-(3-amino-6-oxopyridazin-1-yl)butanamide?
2-(3-amino-6-oxopyridazin-1-yl)butanamide has a molecular weight of 196.21 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-oxopyridazin-1-yl)butanamide is sourced from PubChem (CID 116788244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).