3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one

C18H14N6O2 — CID 6877167

IUPAC3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESCOc1cccc(/C=N/n2nnc3c(cnn3-c3ccccc3)c2=O)c1
InChIInChI=1S/C18H14N6O2/c1-26-15-9-5-6-13(10-15)11-20-24-18(25)16-12-19-23(17(16)21-22-24)14-7-3-2-4-8-14/h2-12H,1H3/b20-11+
InChIKeyGGYCQSIZBDCWQJ-RGVLZGJSSA-N
MW346.35 g/mol
LogP1.87
Rot. Bonds4

About 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one

3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one (PubChem CID 6877167) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one
PubChem CID6877167
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESCOc1cccc(/C=N/n2nnc3c(cnn3-c3ccccc3)c2=O)c1
InChIInChI=1S/C18H14N6O2/c1-26-15-9-5-6-13(10-15)11-20-24-18(25)16-12-19-23(17(16)21-22-24)14-7-3-2-4-8-14/h2-12H,1H3/b20-11+
InChIKeyGGYCQSIZBDCWQJ-RGVLZGJSSA-N
XLogP1.87
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-benzoyl-1-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 11580175
4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl-
CID 692942
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
1-(4-Methoxy-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433727
6-(4-Methylphenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one
CID 722801
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244187
1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244806
6-(3-fluorophenyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990659
N-(4-Methoxyphenyl)-N~2~-[1-(2-Methylphenyl)-4-Oxo-4,5-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl]-L-Alaninamide
CID 135566753
N-(2-Methoxy-phenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 655913
5-(4-Methoxyphenyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 750040

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one (CID 6877167) is 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one is COc1cccc(/C=N/n2nnc3c(cnn3-c3ccccc3)c2=O)c1.
What is the InChIKey of 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is GGYCQSIZBDCWQJ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-26-15-9-5-6-13(10-15)11-20-24-18(25)16-12-19-23(17(16)21-22-24)14-7-3-2-4-8-14/h2-12H,1H3/b20-11+.
What are the key properties of 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one?
3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 346.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-methoxyphenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 6877167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).