2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide

C9H14N4O2 — CID 116786548

IUPAC2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-2-6(5-10)9(15)11-7-3-4-8(14)13-12-7/h3-4,6H,2,5,10H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyHBFDTVLKAFZHIA-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.31
Rot. Bonds4

About 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide

2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide (PubChem CID 116786548) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide
PubChem CID116786548
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-2-6(5-10)9(15)11-7-3-4-8(14)13-12-7/h3-4,6H,2,5,10H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyHBFDTVLKAFZHIA-UHFFFAOYSA-N
XLogP-0.31
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide (CID 116786548) is 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide is CCC(CN)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The InChIKey is HBFDTVLKAFZHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-6(5-10)9(15)11-7-3-4-8(14)13-12-7/h3-4,6H,2,5,10H2,1H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide has a molecular weight of 210.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)butanamide is sourced from PubChem (CID 116786548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).