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

C10H16N4O2 — CID 116786543

IUPAC2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCC(C)C(CN)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-6(2)7(5-11)10(16)12-8-3-4-9(15)14-13-8/h3-4,6-7H,5,11H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKeyWYWUWWBXSLEANI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.06
Rot. Bonds4

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

2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide (PubChem CID 116786543) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
PubChem CID116786543
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCC(C)C(CN)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-6(2)7(5-11)10(16)12-8-3-4-9(15)14-13-8/h3-4,6-7H,5,11H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKeyWYWUWWBXSLEANI-UHFFFAOYSA-N
XLogP-0.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide (CID 116786543) is 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide is CC(C)C(CN)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The InChIKey is WYWUWWBXSLEANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)7(5-11)10(16)12-8-3-4-9(15)14-13-8/h3-4,6-7H,5,11H2,1-2H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide has a molecular weight of 224.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide is sourced from PubChem (CID 116786543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).