5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol

C4H6N4O2S — CID 21107641

IUPAC5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol
SMILESNC1=CSC2=NN(O)C(O)N12
InChIInChI=1S/C4H6N4O2S/c5-2-1-11-3-6-8(10)4(9)7(2)3/h1,4,9-10H,5H2
InChIKeyDNBZBAYOIFWWBV-UHFFFAOYSA-N
MW174.19 g/mol
LogP-0.96
Rot. Bonds

About 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol

5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol (PubChem CID 21107641) has the molecular formula C4H6N4O2S and a molecular weight of 174.19 g/mol. Its IUPAC name is 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol.

Molecular Properties

Compound Name5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol
PubChem CID21107641
Molecular FormulaC4H6N4O2S
Molecular Weight174.19 g/mol
Exact Mass174.02
IUPAC Name5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol
SMILESNC1=CSC2=NN(O)C(O)N12
InChIInChI=1S/C4H6N4O2S/c5-2-1-11-3-6-8(10)4(9)7(2)3/h1,4,9-10H,5H2
InChIKeyDNBZBAYOIFWWBV-UHFFFAOYSA-N
XLogP-0.96
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol?
The IUPAC name of 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol (CID 21107641) is 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol.
What is the SMILES notation for 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol?
The canonical SMILES for 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol is NC1=CSC2=NN(O)C(O)N12.
What is the InChIKey of 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol?
The InChIKey is DNBZBAYOIFWWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2S/c5-2-1-11-3-6-8(10)4(9)7(2)3/h1,4,9-10H,5H2.
What are the key properties of 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol?
5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol has a molecular weight of 174.19 g/mol, XLogP of -0.96, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol is sourced from PubChem (CID 21107641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).