7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

C12H10N4O2 — CID 135447730

IUPAC7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCc1ccc(-c2cc3[nH]c(=O)[nH]c(=O)n3n2)cc1
InChIInChI=1S/C12H10N4O2/c1-7-2-4-8(5-3-7)9-6-10-13-11(17)14-12(18)16(10)15-9/h2-6H,1H3,(H2,13,14,17,18)
InChIKeyZJOXORCRHASWPH-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.69
Rot. Bonds1

About 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135447730) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135447730
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCc1ccc(-c2cc3[nH]c(=O)[nH]c(=O)n3n2)cc1
InChIInChI=1S/C12H10N4O2/c1-7-2-4-8(5-3-7)9-6-10-13-11(17)14-12(18)16(10)15-9/h2-6H,1H3,(H2,13,14,17,18)
InChIKeyZJOXORCRHASWPH-UHFFFAOYSA-N
XLogP0.69
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135447730) is 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is Cc1ccc(-c2cc3[nH]c(=O)[nH]c(=O)n3n2)cc1.
What is the InChIKey of 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is ZJOXORCRHASWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-7-2-4-8(5-3-7)9-6-10-13-11(17)14-12(18)16(10)15-9/h2-6H,1H3,(H2,13,14,17,18).
What are the key properties of 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 242.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135447730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).