pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

C12H12N4OS — CID 67683306

IUPACpyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESO=C1C[C@@H]2SCC=CN12.c1cnc2ccnn2c1
InChIInChI=1S/C6H5N3.C6H7NOS/c1-3-7-6-2-4-8-9(6)5-1;8-5-4-6-7(5)2-1-3-9-6/h1-5H;1-2,6H,3-4H2/t;6-/m.0/s1
InChIKeyUGUYJRYIZOYQQP-ZCMDIHMWSA-N
MW260.32 g/mol
LogP1.53
Rot. Bonds

About pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one (PubChem CID 67683306) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
PubChem CID67683306
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Namepyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESO=C1C[C@@H]2SCC=CN12.c1cnc2ccnn2c1
InChIInChI=1S/C6H5N3.C6H7NOS/c1-3-7-6-2-4-8-9(6)5-1;8-5-4-6-7(5)2-1-3-9-6/h1-5H;1-2,6H,3-4H2/t;6-/m.0/s1
InChIKeyUGUYJRYIZOYQQP-ZCMDIHMWSA-N
XLogP1.53
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The IUPAC name of pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one (CID 67683306) is pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one is O=C1C[C@@H]2SCC=CN12.c1cnc2ccnn2c1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The InChIKey is UGUYJRYIZOYQQP-ZCMDIHMWSA-N. The full InChI is InChI=1S/C6H5N3.C6H7NOS/c1-3-7-6-2-4-8-9(6)5-1;8-5-4-6-7(5)2-1-3-9-6/h1-5H;1-2,6H,3-4H2/t;6-/m.0/s1.
What are the key properties of pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one has a molecular weight of 260.32 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine;(6S)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one is sourced from PubChem (CID 67683306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).