3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid

C11H10N4O2 — CID 136504033

IUPAC3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)C(c1ccccc1)NN2
InChIInChI=1S/C11H10N4O2/c16-11(17)8-6-9-12-13-10(15(9)14-8)7-4-2-1-3-5-7/h1-6,10,12-13H,(H,16,17)
InChIKeyVFXSODFUNOYFDB-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.06
Rot. Bonds2

About 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid

3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid (PubChem CID 136504033) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid
PubChem CID136504033
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)C(c1ccccc1)NN2
InChIInChI=1S/C11H10N4O2/c16-11(17)8-6-9-12-13-10(15(9)14-8)7-4-2-1-3-5-7/h1-6,10,12-13H,(H,16,17)
InChIKeyVFXSODFUNOYFDB-UHFFFAOYSA-N
XLogP1.06
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid?
The IUPAC name of 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid (CID 136504033) is 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid.
What is the SMILES notation for 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid?
The canonical SMILES for 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid is O=C(O)c1cc2n(n1)C(c1ccccc1)NN2.
What is the InChIKey of 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid?
The InChIKey is VFXSODFUNOYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-11(17)8-6-9-12-13-10(15(9)14-8)7-4-2-1-3-5-7/h1-6,10,12-13H,(H,16,17).
What are the key properties of 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid?
3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid has a molecular weight of 230.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid is sourced from PubChem (CID 136504033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).