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

C4H7N5OS — CID 21107588

IUPAC2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol
SMILESNC1=CSC2=NN(N)C(O)N12
InChIInChI=1S/C4H7N5OS/c5-2-1-11-3-7-9(6)4(10)8(2)3/h1,4,10H,5-6H2
InChIKeyXAYDBQJAAHOKDJ-UHFFFAOYSA-N
MW173.20 g/mol
LogP-1.47
Rot. Bonds

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

2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol (PubChem CID 21107588) has the molecular formula C4H7N5OS and a molecular weight of 173.20 g/mol. Its IUPAC name is 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol.

Molecular Properties

Compound Name2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol
PubChem CID21107588
Molecular FormulaC4H7N5OS
Molecular Weight173.20 g/mol
Exact Mass173.04
IUPAC Name2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol
SMILESNC1=CSC2=NN(N)C(O)N12
InChIInChI=1S/C4H7N5OS/c5-2-1-11-3-7-9(6)4(10)8(2)3/h1,4,10H,5-6H2
InChIKeyXAYDBQJAAHOKDJ-UHFFFAOYSA-N
XLogP-1.47
TPSA91.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-hydroxy-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol
CID 21107641
3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine
CID 21107804
2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 21107813

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol?
The IUPAC name of 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol (CID 21107588) is 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol.
What is the SMILES notation for 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol?
The canonical SMILES for 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol is NC1=CSC2=NN(N)C(O)N12.
What is the InChIKey of 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol?
The InChIKey is XAYDBQJAAHOKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5OS/c5-2-1-11-3-7-9(6)4(10)8(2)3/h1,4,10H,5-6H2.
What are the key properties of 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol?
2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol has a molecular weight of 173.20 g/mol, XLogP of -1.47, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-3H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-ol is sourced from PubChem (CID 21107588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).