2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C4H7N5OS — CID 21107813

IUPAC2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESNC1=NN2C(O)=CSC2N1N
InChIInChI=1S/C4H7N5OS/c5-3-7-9-2(10)1-11-4(9)8(3)6/h1,4,10H,6H2,(H2,5,7)
InChIKeyUQCUDKWBSMMGGS-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.91
Rot. Bonds

About 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 21107813) has the molecular formula C4H7N5OS and a molecular weight of 173.20 g/mol. Its IUPAC name is 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID21107813
Molecular FormulaC4H7N5OS
Molecular Weight173.20 g/mol
Exact Mass173.04
IUPAC Name2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESNC1=NN2C(O)=CSC2N1N
InChIInChI=1S/C4H7N5OS/c5-3-7-9-2(10)1-11-4(9)8(3)6/h1,4,10H,6H2,(H2,5,7)
InChIKeyUQCUDKWBSMMGGS-UHFFFAOYSA-N
XLogP-0.91
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 ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 21107813) is 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is NC1=NN2C(O)=CSC2N1N.
What is the InChIKey of 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is UQCUDKWBSMMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5OS/c5-3-7-9-2(10)1-11-4(9)8(3)6/h1,4,10H,6H2,(H2,5,7).
What are the key properties of 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 173.20 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3aH-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 21107813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).