7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one

C16H11N7O — CID 6877168

IUPAC7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nnn1/N=C/c1cccnc1
InChIInChI=1S/C16H11N7O/c24-16-14-11-18-22(13-6-2-1-3-7-13)15(14)20-21-23(16)19-10-12-5-4-8-17-9-12/h1-11H/b19-10+
InChIKeyFRCHNHOPBPYRRB-VXLYETTFSA-N
MW317.31 g/mol
LogP1.25
Rot. Bonds3

About 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one

7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one (PubChem CID 6877168) has the molecular formula C16H11N7O and a molecular weight of 317.31 g/mol. Its IUPAC name is 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one
PubChem CID6877168
Molecular FormulaC16H11N7O
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nnn1/N=C/c1cccnc1
InChIInChI=1S/C16H11N7O/c24-16-14-11-18-22(13-6-2-1-3-7-13)15(14)20-21-23(16)19-10-12-5-4-8-17-9-12/h1-11H/b19-10+
InChIKeyFRCHNHOPBPYRRB-VXLYETTFSA-N
XLogP1.25
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.25
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

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
CU-CPT-8m
CID 15042086
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbohydrazide
CID 2767863
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
5-amino-1-phenyl-N'-(phenylmethylene)-1H-pyrazole-4-carbohydrazide
CID 9583770
1-(4-Fluorophenyl)-6-methyl-5-(3-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 3242334
3-[(4-Phenyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1939424

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one (CID 6877168) is 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one is O=c1c2cnn(-c3ccccc3)c2nnn1/N=C/c1cccnc1.
What is the InChIKey of 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one?
The InChIKey is FRCHNHOPBPYRRB-VXLYETTFSA-N. The full InChI is InChI=1S/C16H11N7O/c24-16-14-11-18-22(13-6-2-1-3-7-13)15(14)20-21-23(16)19-10-12-5-4-8-17-9-12/h1-11H/b19-10+.
What are the key properties of 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one?
7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one has a molecular weight of 317.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 6877168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).