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

C5H4N4O2 — CID 135590577

IUPAC1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2nccc2[nH]1
InChIInChI=1S/C5H4N4O2/c10-4-7-3-1-2-6-9(3)5(11)8-4/h1-2H,(H2,7,8,10,11)
InChIKeySJYQALISQZSGLG-UHFFFAOYSA-N
MW152.11 g/mol
LogP-1.29
Rot. Bonds

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

1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135590577) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135590577
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2nccc2[nH]1
InChIInChI=1S/C5H4N4O2/c10-4-7-3-1-2-6-9(3)5(11)8-4/h1-2H,(H2,7,8,10,11)
InChIKeySJYQALISQZSGLG-UHFFFAOYSA-N
XLogP-1.29
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
CID 135399047
8-Bromo-1H-pyraZolo[1,5-a][1,3,5]triaZine-2,4-dione
CID 135473861
4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-5-one
CID 135636708
7-Aminopyrazolo[1,5-A]Pyrimidin-5-Ol
CID 135670829
8-Chloropyrazolo[1,5-a][1,3,5]triazine-2,4(1H,3H)-dione
CID 136239445
4-hydroxy-8-methyl-1H,2H-pyrazolo[1,5-a][1,3,5]triazin-2-one
CID 136260439
8-Iodopyrazolo[1,5-a][1,3,5]triazine-2,4(1H,3H)-dione
CID 136260440
Pyrazolo[1,5-A]pyrimidine-5,7(4H,6H)-dione
CID 135787026
Pyrazolo[5,1-d][1,2,3,5]tetrazin-4(3h)one
CID 136163654
1,2,3,4-Tetrahydropyrazolo[1,5-a][1,3,5]triazine
CID 153527727
2-(2,2,2-trifluoroethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136406740
2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136439959

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135590577) is 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is O=c1[nH]c(=O)n2nccc2[nH]1.
What is the InChIKey of 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is SJYQALISQZSGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-4-7-3-1-2-6-9(3)5(11)8-4/h1-2H,(H2,7,8,10,11).
What are the key properties of 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 152.11 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135590577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).