7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C11H8N4O — CID 135590645

IUPAC7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C11H8N4O/c16-11-13-7-12-10-6-9(14-15(10)11)8-4-2-1-3-5-8/h1-7H,(H,12,13,16)
InChIKeyHSYQTCOLRFLYAI-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.08
Rot. Bonds1

About 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135590645) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID135590645
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C11H8N4O/c16-11-13-7-12-10-6-9(14-15(10)11)8-4-2-1-3-5-8/h1-7H,(H,12,13,16)
InChIKeyHSYQTCOLRFLYAI-UHFFFAOYSA-N
XLogP1.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
CID 132596409
(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103281269
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide
CID 141184049
2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione
CID 137187475
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
2,7-diphenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4023697
1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine
CID 13001644
(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270287
5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
CID 132596417
(5-phenyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270451
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 135590645) is 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is O=c1[nH]cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is HSYQTCOLRFLYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-13-7-12-10-6-9(14-15(10)11)8-4-2-1-3-5-8/h1-7H,(H,12,13,16).
What are the key properties of 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 212.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135590645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).