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

C12H10N4O2 — CID 135431807

IUPAC7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)n2n1
InChIInChI=1S/C12H10N4O2/c1-8-7-10-13-11(17)15(12(18)16(10)14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyCOALZLCDTNPQCI-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.48
Rot. Bonds1

About 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135431807) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135431807
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)n2n1
InChIInChI=1S/C12H10N4O2/c1-8-7-10-13-11(17)15(12(18)16(10)14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyCOALZLCDTNPQCI-UHFFFAOYSA-N
XLogP0.48
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ML297
CID 56642816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
3,5-Dimethyl-pyrazole-1-carboxylic acid phenylamide
CID 301738
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-phenylurea
CID 2818791
3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 770920
N,N'-bis(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 3240573
1-(2,4-difluorophenyl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 2811437
1-[3-(2-Methylbutan-2-yl)-1-phenylpyrazol-5-yl]-3-phenylurea
CID 9841250
1-phenyl-3-[1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 10903293
1-(3,4-Difluorophenyl)-3-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 71812406
1-(3,4-Difluorophenyl)-3-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]urea
CID 71812407
2-cyano-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide
CID 2356870

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135431807) is 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is Cc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)n2n1.
What is the InChIKey of 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is COALZLCDTNPQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-8-7-10-13-11(17)15(12(18)16(10)14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17).
What are the key properties of 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 242.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135431807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).