8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

C11H8N4O2 — CID 135789668

IUPAC8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2ncc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C11H8N4O2/c16-10-13-9-8(7-4-2-1-3-5-7)6-12-15(9)11(17)14-10/h1-6H,(H2,13,14,16,17)
InChIKeyLIUUCBGVUXCQHA-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.38
Rot. Bonds1

About 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135789668) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135789668
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2ncc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C11H8N4O2/c16-10-13-9-8(7-4-2-1-3-5-7)6-12-15(9)11(17)14-10/h1-6H,(H2,13,14,16,17)
InChIKeyLIUUCBGVUXCQHA-UHFFFAOYSA-N
XLogP0.38
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Amino-4-benzyl-10-ethenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44217846
3-Phenylpyrazolo(1,5-a)pyrimidine-5,7-diol
CID 135565929
7-hydroxy-3-(4-methylphenyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136056609
7-hydroxy-3-(3-methylphenyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136056610
Urea, (4-phenylpyrazol-3-yl)-
CID 24847591
7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135447730
7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135536120
8-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136219282
8-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136244463
8-(4-bromophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136244555
8-(4-tert-butylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136254415
8-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136260441

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135789668) is 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is O=c1[nH]c(=O)n2ncc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is LIUUCBGVUXCQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c16-10-13-9-8(7-4-2-1-3-5-7)6-12-15(9)11(17)14-10/h1-6H,(H2,13,14,16,17).
What are the key properties of 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 228.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135789668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).