3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one

C16H15N5O — CID 71971182

IUPAC3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nnn1C1C=CCCC1
InChIInChI=1S/C16H15N5O/c22-16-14-11-17-20(12-7-3-1-4-8-12)15(14)18-19-21(16)13-9-5-2-6-10-13/h1,3-5,7-9,11,13H,2,6,10H2
InChIKeyAAXYDCBQBAREAG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.26
Rot. Bonds2

About 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one

3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one (PubChem CID 71971182) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one
PubChem CID71971182
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nnn1C1C=CCCC1
InChIInChI=1S/C16H15N5O/c22-16-14-11-17-20(12-7-3-1-4-8-12)15(14)18-19-21(16)13-9-5-2-6-10-13/h1,3-5,7-9,11,13H,2,6,10H2
InChIKeyAAXYDCBQBAREAG-UHFFFAOYSA-N
XLogP2.26
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one (CID 71971182) is 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one is O=c1c2cnn(-c3ccccc3)c2nnn1C1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is AAXYDCBQBAREAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16-14-11-17-20(12-7-3-1-4-8-12)15(14)18-19-21(16)13-9-5-2-6-10-13/h1,3-5,7-9,11,13H,2,6,10H2.
What are the key properties of 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one?
3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 293.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yl-7-phenylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 71971182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).