N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide

C10H15N3O2 — CID 13274973

IUPACN-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide
SMILESCCC(C)N(C(C)=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O2/c1-4-7(2)13(8(3)14)9-5-6-10(15)12-11-9/h5-7H,4H2,1-3H3,(H,12,15)
InChIKeyIKEGNLUOSMOOMR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.92
Rot. Bonds3

About N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide

N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide (PubChem CID 13274973) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide
PubChem CID13274973
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide
SMILESCCC(C)N(C(C)=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O2/c1-4-7(2)13(8(3)14)9-5-6-10(15)12-11-9/h5-7H,4H2,1-3H3,(H,12,15)
InChIKeyIKEGNLUOSMOOMR-UHFFFAOYSA-N
XLogP0.92
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide (CID 13274973) is N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide is CCC(C)N(C(C)=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The InChIKey is IKEGNLUOSMOOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-7(2)13(8(3)14)9-5-6-10(15)12-11-9/h5-7H,4H2,1-3H3,(H,12,15).
What are the key properties of N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(6-oxo-1H-pyridazin-3-yl)acetamide is sourced from PubChem (CID 13274973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).