[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)

C20H20N6O2W — CID 153428280

IUPAC[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)
SMILESCOc1ccc(-c2c(C)nn3c([NH-])nc(C)nc23)cc1OC.[W+2].[c-]1ccncc1
InChIInChI=1S/C15H16N5O2.C5H4N.W/c1-8-13(10-5-6-11(21-3)12(7-10)22-4)14-17-9(2)18-15(16)20(14)19-8;1-2-4-6-5-3-1;/h5-7H,1-4H3,(H-,16,17,18);2-5H;/q2*-1;+2
InChIKeyJPBPTGZBGCBZQV-UHFFFAOYSA-N
MW560.26 g/mol
LogP3.99
Rot. Bonds3

About [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)

[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+) (PubChem CID 153428280) has the molecular formula C20H20N6O2W and a molecular weight of 560.26 g/mol. Its IUPAC name is [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+).

Molecular Properties

Compound Name[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)
PubChem CID153428280
Molecular FormulaC20H20N6O2W
Molecular Weight560.26 g/mol
Exact Mass560.12
IUPAC Name[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)
SMILESCOc1ccc(-c2c(C)nn3c([NH-])nc(C)nc23)cc1OC.[W+2].[c-]1ccncc1
InChIInChI=1S/C15H16N5O2.C5H4N.W/c1-8-13(10-5-6-11(21-3)12(7-10)22-4)14-17-9(2)18-15(16)20(14)19-8;1-2-4-6-5-3-1;/h5-7H,1-4H3,(H-,16,17,18);2-5H;/q2*-1;+2
InChIKeyJPBPTGZBGCBZQV-UHFFFAOYSA-N
XLogP3.99
TPSA98.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.26
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+) with MolForge

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Related Compounds

8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 139468419
7-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274773
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 135356185
8-(3,4-dimethoxyphenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 145215545
3-(3,4-dimethoxyphenyl)-2-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 22332914
1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
CID 17067599
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224
methyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17147947
7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4911370
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 142400735
[5-chloro-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 135356461
5-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522146

Frequently Asked Questions

What is the IUPAC name of [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)?
The IUPAC name of [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+) (CID 153428280) is [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+).
What is the SMILES notation for [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)?
The canonical SMILES for [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+) is COc1ccc(-c2c(C)nn3c([NH-])nc(C)nc23)cc1OC.[W+2].[c-]1ccncc1.
What is the InChIKey of [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)?
The InChIKey is JPBPTGZBGCBZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N5O2.C5H4N.W/c1-8-13(10-5-6-11(21-3)12(7-10)22-4)14-17-9(2)18-15(16)20(14)19-8;1-2-4-6-5-3-1;/h5-7H,1-4H3,(H-,16,17,18);2-5H;/q2*-1;+2.
What are the key properties of [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)?
[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+) has a molecular weight of 560.26 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+) is sourced from PubChem (CID 153428280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).