4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide

C9H14N4O2 — CID 103218228

IUPAC4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1ncc(N)cc1=O
InChIInChI=1S/C9H14N4O2/c1-11-8(14)3-2-4-13-9(15)5-7(10)6-12-13/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyHGXNPDOFHBXFMZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.65
Rot. Bonds4

About 4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide

4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide (PubChem CID 103218228) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide
PubChem CID103218228
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1ncc(N)cc1=O
InChIInChI=1S/C9H14N4O2/c1-11-8(14)3-2-4-13-9(15)5-7(10)6-12-13/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyHGXNPDOFHBXFMZ-UHFFFAOYSA-N
XLogP-0.65
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 ≤ 5-0.65
H-Bond Donors ≤ 52
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-methylbutanamide?
The IUPAC name of 4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide (CID 103218228) is 4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide is CNC(=O)CCCn1ncc(N)cc1=O.
What is the InChIKey of 4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide?
The InChIKey is HGXNPDOFHBXFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-11-8(14)3-2-4-13-9(15)5-7(10)6-12-13/h5-6H,2-4,10H2,1H3,(H,11,14).
What are the key properties of 4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide?
4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide has a molecular weight of 210.24 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 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-methylbutanamide is sourced from PubChem (CID 103218228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).