7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole

C5H7N5O — CID 69459697

IUPAC7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole
SMILESCCOn1cnn2cnnc12
InChIInChI=1S/C5H7N5O/c1-2-11-10-4-7-9-3-6-8-5(9)10/h3-4H,2H2,1H3
InChIKeyVWKFHNBWTBZVNU-UHFFFAOYSA-N
MW153.15 g/mol
LogP-0.63
Rot. Bonds2

About 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole

7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole (PubChem CID 69459697) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole.

Molecular Properties

Compound Name7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole
PubChem CID69459697
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole
SMILESCCOn1cnn2cnnc12
InChIInChI=1S/C5H7N5O/c1-2-11-10-4-7-9-3-6-8-5(9)10/h3-4H,2H2,1H3
InChIKeyVWKFHNBWTBZVNU-UHFFFAOYSA-N
XLogP-0.63
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole?
The IUPAC name of 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole (CID 69459697) is 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole.
What is the SMILES notation for 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole?
The canonical SMILES for 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole is CCOn1cnn2cnnc12.
What is the InChIKey of 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole?
The InChIKey is VWKFHNBWTBZVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c1-2-11-10-4-7-9-3-6-8-5(9)10/h3-4H,2H2,1H3.
What are the key properties of 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole?
7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole has a molecular weight of 153.15 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-[1,2,4]triazolo[4,3-b][1,2,4]triazole is sourced from PubChem (CID 69459697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).