2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C5H5N5O2S — CID 137229352

IUPAC2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=S(=O)=Nc1nc2n(n1)CC=CN2
InChIInChI=1S/C5H5N5O2S/c11-13(12)9-4-7-5-6-2-1-3-10(5)8-4/h1-2H,3H2,(H,6,7,8)
InChIKeyOUSJOONCCXATDG-UHFFFAOYSA-N
MW199.19 g/mol
LogP-0.09
Rot. Bonds1

About 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 137229352) has the molecular formula C5H5N5O2S and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID137229352
Molecular FormulaC5H5N5O2S
Molecular Weight199.19 g/mol
Exact Mass199.02
IUPAC Name2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=S(=O)=Nc1nc2n(n1)CC=CN2
InChIInChI=1S/C5H5N5O2S/c11-13(12)9-4-7-5-6-2-1-3-10(5)8-4/h1-2H,3H2,(H,6,7,8)
InChIKeyOUSJOONCCXATDG-UHFFFAOYSA-N
XLogP-0.09
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,7-Dihydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 136428882
4,7-Dihydrotetrazolo[1,5-a]pyrimidine
CID 136481730
2-Amino-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 137229347
4,7-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141270841
4,5-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 142318065

Frequently Asked Questions

What is the IUPAC name of 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 137229352) is 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is O=S(=O)=Nc1nc2n(n1)CC=CN2.
What is the InChIKey of 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OUSJOONCCXATDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2S/c11-13(12)9-4-7-5-6-2-1-3-10(5)8-4/h1-2H,3H2,(H,6,7,8).
What are the key properties of 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 199.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfonylamino)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137229352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).