2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide

C9H14N4O2 — CID 103218538

IUPAC2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide
SMILESCCC(C(N)=O)n1ncc(NC)cc1=O
InChIInChI=1S/C9H14N4O2/c1-3-7(9(10)15)13-8(14)4-6(11-2)5-12-13/h4-5,7,11H,3H2,1-2H3,(H2,10,15)
InChIKeyFGZNGJXJJCAQTG-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.28
Rot. Bonds4

About 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide

2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide (PubChem CID 103218538) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide
PubChem CID103218538
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide
SMILESCCC(C(N)=O)n1ncc(NC)cc1=O
InChIInChI=1S/C9H14N4O2/c1-3-7(9(10)15)13-8(14)4-6(11-2)5-12-13/h4-5,7,11H,3H2,1-2H3,(H2,10,15)
InChIKeyFGZNGJXJJCAQTG-UHFFFAOYSA-N
XLogP-0.28
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide (CID 103218538) is 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide is CCC(C(N)=O)n1ncc(NC)cc1=O.
What is the InChIKey of 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is FGZNGJXJJCAQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-7(9(10)15)13-8(14)4-6(11-2)5-12-13/h4-5,7,11H,3H2,1-2H3,(H2,10,15).
What are the key properties of 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide?
2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 210.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 103218538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).