N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide

C15H23N5O4S — CID 53043509

IUPACN-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1nc2ccc(S(=O)(=O)C(C)(C)C)nn2c1=O
InChIInChI=1S/C15H23N5O4S/c1-14(2,3)16-11(21)9-19-13(22)20-10(17-19)7-8-12(18-20)25(23,24)15(4,5)6/h7-8H,9H2,1-6H3,(H,16,21)
InChIKeySDXQACFVYFHMDA-UHFFFAOYSA-N
MW369.45 g/mol
LogP0.38
Rot. Bonds3

About N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide

N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide (PubChem CID 53043509) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide
PubChem CID53043509
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC NameN-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1nc2ccc(S(=O)(=O)C(C)(C)C)nn2c1=O
InChIInChI=1S/C15H23N5O4S/c1-14(2,3)16-11(21)9-19-13(22)20-10(17-19)7-8-12(18-20)25(23,24)15(4,5)6/h7-8H,9H2,1-6H3,(H,16,21)
InChIKeySDXQACFVYFHMDA-UHFFFAOYSA-N
XLogP0.38
TPSA115.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide (CID 53043509) is N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide is CC(C)(C)NC(=O)Cn1nc2ccc(S(=O)(=O)C(C)(C)C)nn2c1=O.
What is the InChIKey of N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide?
The InChIKey is SDXQACFVYFHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S/c1-14(2,3)16-11(21)9-19-13(22)20-10(17-19)7-8-12(18-20)25(23,24)15(4,5)6/h7-8H,9H2,1-6H3,(H,16,21).
What are the key properties of N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide?
N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-tert-butylsulfonyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide is sourced from PubChem (CID 53043509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).