tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate

C4H4N2O3 — CID 59095114

IUPACtritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate
SMILES[3H]OC(=O)C1=NN([3H])C(=O)C1
InChIInChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H2,(H,6,7)(H,8,9)/i/hT2
InChIKeyYKJJEZSCAQDLOD-PWCQTSIFSA-N
MW132.10 g/mol
LogP-1.05
Rot. Bonds1

About tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate

tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate (PubChem CID 59095114) has the molecular formula C4H4N2O3 and a molecular weight of 132.10 g/mol. Its IUPAC name is tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nametritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate
PubChem CID59095114
Molecular FormulaC4H4N2O3
Molecular Weight132.10 g/mol
Exact Mass132.04
IUPAC Nametritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate
SMILES[3H]OC(=O)C1=NN([3H])C(=O)C1
InChIInChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H2,(H,6,7)(H,8,9)/i/hT2
InChIKeyYKJJEZSCAQDLOD-PWCQTSIFSA-N
XLogP-1.05
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.10
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate?
The IUPAC name of tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate (CID 59095114) is tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate.
What is the SMILES notation for tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate?
The canonical SMILES for tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate is [3H]OC(=O)C1=NN([3H])C(=O)C1.
What is the InChIKey of tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate?
The InChIKey is YKJJEZSCAQDLOD-PWCQTSIFSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H2,(H,6,7)(H,8,9)/i/hT2.
What are the key properties of tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate?
tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate has a molecular weight of 132.10 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tritio 5-oxo-1-tritio-4H-pyrazole-3-carboxylate is sourced from PubChem (CID 59095114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).