5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C9H15N5O3S — CID 166399565

IUPAC5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2n1N(S(=O)(=O)N1CCCC1)CCC2
InChIInChI=1S/C9H15N5O3S/c15-9-11-10-8-4-3-7-13(14(8)9)18(16,17)12-5-1-2-6-12/h1-7H2,(H,11,15)
InChIKeyBHEUJMRUUJIYRU-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.20
Rot. Bonds2

About 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one

5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 166399565) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID166399565
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2n1N(S(=O)(=O)N1CCCC1)CCC2
InChIInChI=1S/C9H15N5O3S/c15-9-11-10-8-4-3-7-13(14(8)9)18(16,17)12-5-1-2-6-12/h1-7H2,(H,11,15)
InChIKeyBHEUJMRUUJIYRU-UHFFFAOYSA-N
XLogP-1.20
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 166399565) is 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2n1N(S(=O)(=O)N1CCCC1)CCC2.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is BHEUJMRUUJIYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c15-9-11-10-8-4-3-7-13(14(8)9)18(16,17)12-5-1-2-6-12/h1-7H2,(H,11,15).
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 273.32 g/mol, XLogP of -1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-2,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 166399565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).