N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide

C11H15N3O — CID 170488101

IUPACN-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C)nn1
InChIInChI=1S/C11H15N3O/c1-9-6-7-11(14-13-9)5-3-4-8-12-10(2)15/h3,5-7H,4,8H2,1-2H3,(H,12,15)
InChIKeyUZMOEEJOYUXTHH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.32
Rot. Bonds4

About N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide

N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide (PubChem CID 170488101) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide
PubChem CID170488101
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C)nn1
InChIInChI=1S/C11H15N3O/c1-9-6-7-11(14-13-9)5-3-4-8-12-10(2)15/h3,5-7H,4,8H2,1-2H3,(H,12,15)
InChIKeyUZMOEEJOYUXTHH-UHFFFAOYSA-N
XLogP1.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide (CID 170488101) is N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc(C)nn1.
What is the InChIKey of N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide?
The InChIKey is UZMOEEJOYUXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-6-7-11(14-13-9)5-3-4-8-12-10(2)15/h3,5-7H,4,8H2,1-2H3,(H,12,15).
What are the key properties of N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide?
N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).