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

C11H11N3O2 — CID 714678

IUPAC2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESO=c1n(-c2ccccc2)c(=O)n2n1CCC2
InChIInChI=1S/C11H11N3O2/c15-10-12-7-4-8-13(12)11(16)14(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyMBANSQWKBOBYMA-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.20
Rot. Bonds1

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

2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione (PubChem CID 714678) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.

Molecular Properties

Compound Name2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
PubChem CID714678
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESO=c1n(-c2ccccc2)c(=O)n2n1CCC2
InChIInChI=1S/C11H11N3O2/c15-10-12-7-4-8-13(12)11(16)14(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyMBANSQWKBOBYMA-UHFFFAOYSA-N
XLogP0.20
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 2732733
1H-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-2-phenyl-
CID 714410
2-Ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 6539174
1,2-Dimethyl-4-Phenyl-1,2,4-triazolidine-3,5-dione
CID 6539163
2,3-diphenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 4438447
6-hydroxy-2-phenyldihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione
CID 1503578
4-Methyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 2732726
2-(4-bromophenyl)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 13060397
1-Butyl-2-phenyl-1,2,4-triazolidine-3,5-dione
CID 215061
Bicarbamimide, N-ethyl-2-phenyl-3-propyl-
CID 215078
Bicarbamimide, 2-(1-ethylpropyl)-3-phenyl-
CID 215082
Bicarbamimide, 2-allyl-3-phenyl-
CID 215083

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The IUPAC name of 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione (CID 714678) is 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.
What is the SMILES notation for 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The canonical SMILES for 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione is O=c1n(-c2ccccc2)c(=O)n2n1CCC2.
What is the InChIKey of 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The InChIKey is MBANSQWKBOBYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10-12-7-4-8-13(12)11(16)14(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione has a molecular weight of 217.23 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione is sourced from PubChem (CID 714678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).