7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C6H7N5O2S — CID 130017325

IUPAC7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESNc1nn2c(=O)c(CCO)nnc2s1
InChIInChI=1S/C6H7N5O2S/c7-5-10-11-4(13)3(1-2-12)8-9-6(11)14-5/h12H,1-2H2,(H2,7,10)
InChIKeyQRUJFKGWPHIAPR-UHFFFAOYSA-N
MW213.22 g/mol
LogP-1.34
Rot. Bonds2

About 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 130017325) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID130017325
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESNc1nn2c(=O)c(CCO)nnc2s1
InChIInChI=1S/C6H7N5O2S/c7-5-10-11-4(13)3(1-2-12)8-9-6(11)14-5/h12H,1-2H2,(H2,7,10)
InChIKeyQRUJFKGWPHIAPR-UHFFFAOYSA-N
XLogP-1.34
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 130017325) is 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is Nc1nn2c(=O)c(CCO)nnc2s1.
What is the InChIKey of 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is QRUJFKGWPHIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c7-5-10-11-4(13)3(1-2-12)8-9-6(11)14-5/h12H,1-2H2,(H2,7,10).
What are the key properties of 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 213.22 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 130017325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).