6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione

C5H7N3O2 — CID 22671093

IUPAC6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESO=c1[nH]c(=O)n2n1CCC2
InChIInChI=1S/C5H7N3O2/c9-4-6-5(10)8-3-1-2-7(4)8/h1-3H2,(H,6,9,10)
InChIKeyOSYYCQRMBFOXNI-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.26
Rot. Bonds

About 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione

6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione (PubChem CID 22671093) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
PubChem CID22671093
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESO=c1[nH]c(=O)n2n1CCC2
InChIInChI=1S/C5H7N3O2/c9-4-6-5(10)8-3-1-2-7(4)8/h1-3H2,(H,6,9,10)
InChIKeyOSYYCQRMBFOXNI-UHFFFAOYSA-N
XLogP-1.26
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione (CID 22671093) is 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione is O=c1[nH]c(=O)n2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The InChIKey is OSYYCQRMBFOXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c9-4-6-5(10)8-3-1-2-7(4)8/h1-3H2,(H,6,9,10).
What are the key properties of 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione has a molecular weight of 141.13 g/mol, XLogP of -1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione is sourced from PubChem (CID 22671093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).