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

C14H18F3N3O2 — CID 52695819

IUPACN-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C14H18F3N3O2/c1-13(2,3)18-11(21)7-20-12(22)9(14(15,16)17)6-10(19-20)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyBEBUURFVGPZZDZ-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.05
Rot. Bonds3

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

N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (PubChem CID 52695819) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
PubChem CID52695819
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C14H18F3N3O2/c1-13(2,3)18-11(21)7-20-12(22)9(14(15,16)17)6-10(19-20)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,18,21)
InChIKeyBEBUURFVGPZZDZ-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (CID 52695819) is N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is CC(C)(C)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The InChIKey is BEBUURFVGPZZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-13(2,3)18-11(21)7-20-12(22)9(14(15,16)17)6-10(19-20)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 52695819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).