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

C11H7ClN4O2 — CID 135512734

IUPAC7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2nc(-c3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C11H7ClN4O2/c12-7-3-1-6(2-4-7)8-5-9-13-10(17)14-11(18)16(9)15-8/h1-5H,(H2,13,14,17,18)
InChIKeyAYQPLBSTIHRPIT-UHFFFAOYSA-N
MW262.66 g/mol
LogP1.03
Rot. Bonds1

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

7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135512734) has the molecular formula C11H7ClN4O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135512734
Molecular FormulaC11H7ClN4O2
Molecular Weight262.66 g/mol
Exact Mass262.03
IUPAC Name7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2nc(-c3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C11H7ClN4O2/c12-7-3-1-6(2-4-7)8-5-9-13-10(17)14-11(18)16(9)15-8/h1-5H,(H2,13,14,17,18)
InChIKeyAYQPLBSTIHRPIT-UHFFFAOYSA-N
XLogP1.03
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chloro-phenyl)-6H-pyrazolo[1,5-c]quinazolin-5-one
CID 135513694
2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5(4H)-one
CID 135515082
N-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]-N'-phenylurea
CID 2813987
N-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 701998
2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135590621
1-[5-(4-Chloro-phenyl)-2-phenyl-2H-pyrazol-3-yl]-3-phenyl-urea
CID 24073040
7-(4-methylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135447730
3-benzyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135514566
7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135536120
7-(4-fluorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136239308
8-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136244463
7-(4-tert-butylphenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136244554

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135512734) is 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is O=c1[nH]c(=O)n2nc(-c3ccc(Cl)cc3)cc2[nH]1.
What is the InChIKey of 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is AYQPLBSTIHRPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2/c12-7-3-1-6(2-4-7)8-5-9-13-10(17)14-11(18)16(9)15-8/h1-5H,(H2,13,14,17,18).
What are the key properties of 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 262.66 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135512734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).