N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide

C15H19F3N4O3 — CID 55874912

IUPACN-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C15H19F3N4O3/c1-2-3-6-19-14(25)20-12(23)8-22-13(24)10(15(16,17)18)7-11(21-22)9-4-5-9/h7,9H,2-6,8H2,1H3,(H2,19,20,23,25)
InChIKeyRNERBIFTJXFJEZ-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.77
Rot. Bonds6

About N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide

N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (PubChem CID 55874912) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
PubChem CID55874912
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC NameN-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C15H19F3N4O3/c1-2-3-6-19-14(25)20-12(23)8-22-13(24)10(15(16,17)18)7-11(21-22)9-4-5-9/h7,9H,2-6,8H2,1H3,(H2,19,20,23,25)
InChIKeyRNERBIFTJXFJEZ-UHFFFAOYSA-N
XLogP1.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (CID 55874912) is N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is CCCCNC(=O)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The InChIKey is RNERBIFTJXFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c1-2-3-6-19-14(25)20-12(23)8-22-13(24)10(15(16,17)18)7-11(21-22)9-4-5-9/h7,9H,2-6,8H2,1H3,(H2,19,20,23,25).
What are the key properties of N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide has a molecular weight of 360.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 55874912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).