1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium

C8H7N3WY-2 — CID 59708822

IUPAC1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium
SMILESCc1c[c-]nc2c1[c-]nn2C.[W].[Y]
InChIInChI=1S/C8H7N3.W.Y/c1-6-3-4-9-8-7(6)5-10-11(8)2;;/h3H,1-2H3;;/q-2;;
InChIKeyKIZIPKXMKKNSLT-UHFFFAOYSA-N
MW417.91 g/mol
LogP0.87
Rot. Bonds

About 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium

1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium (PubChem CID 59708822) has the molecular formula C8H7N3WY-2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium
PubChem CID59708822
Molecular FormulaC8H7N3WY-2
Molecular Weight417.91 g/mol
Exact Mass417.92
IUPAC Name1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium
SMILESCc1c[c-]nc2c1[c-]nn2C.[W].[Y]
InChIInChI=1S/C8H7N3.W.Y/c1-6-3-4-9-8-7(6)5-10-11(8)2;;/h3H,1-2H3;;/q-2;;
InChIKeyKIZIPKXMKKNSLT-UHFFFAOYSA-N
XLogP0.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7-Dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
CID 59708852
1,4-Dimethyl-3,6-dihydropyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium
CID 59708885
1,4-Dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium
CID 59708894
4,7-Dimethyl-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
CID 60111516

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium?
The IUPAC name of 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium (CID 59708822) is 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium?
The canonical SMILES for 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium is Cc1c[c-]nc2c1[c-]nn2C.[W].[Y].
What is the InChIKey of 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium?
The InChIKey is KIZIPKXMKKNSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.W.Y/c1-6-3-4-9-8-7(6)5-10-11(8)2;;/h3H,1-2H3;;/q-2;;.
What are the key properties of 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium?
1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium has a molecular weight of 417.91 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydropyrazolo[3,4-b]pyridine-3,6-diide;tungsten;yttrium is sourced from PubChem (CID 59708822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).