1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium

C9H8N2WY-2 — CID 59708904

IUPAC1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium
SMILESCc1c[c-]cc2c1[c-]nn2C.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-4-3-5-9-8(7)6-10-11(9)2;;/h4-5H,1-2H3;;/q-2;;
InChIKeyJHIWIIGHDAZMOJ-UHFFFAOYSA-N
MW416.92 g/mol
LogP1.48
Rot. Bonds

About 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium

1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium (PubChem CID 59708904) has the molecular formula C9H8N2WY-2 and a molecular weight of 416.92 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium
PubChem CID59708904
Molecular FormulaC9H8N2WY-2
Molecular Weight416.92 g/mol
Exact Mass416.93
IUPAC Name1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium
SMILESCc1c[c-]cc2c1[c-]nn2C.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-4-3-5-9-8(7)6-10-11(9)2;;/h4-5H,1-2H3;;/q-2;;
InChIKeyJHIWIIGHDAZMOJ-UHFFFAOYSA-N
XLogP1.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-but-1-en-2-yl-2H-pyrazolo[1,5-a]pyridin-2-ide;tungsten;vanadium
CID 57837503
1,4-Dimethyl-3,6-dihydropyrazolo[4,5-c]pyridine-3,6-diide;tungsten;yttrium
CID 59708835
1,6-Dimethyl-5,6-dihydroindazole
CID 68021264
(6S)-1,6-dimethyl-5,6-dihydroindazole
CID 89510252
1,3,5-Trimethyl-6-methylidenepyridazine
CID 89576332
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342605
1-Methyl-5,6-dihydroindazole
CID 137468550
(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazole
CID 142338035
(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole
CID 144080202
(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole
CID 145087227
(4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole
CID 145323618

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium?
The IUPAC name of 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium (CID 59708904) is 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium?
The canonical SMILES for 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium is Cc1c[c-]cc2c1[c-]nn2C.[W].[Y].
What is the InChIKey of 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium?
The InChIKey is JHIWIIGHDAZMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.W.Y/c1-7-4-3-5-9-8(7)6-10-11(9)2;;/h4-5H,1-2H3;;/q-2;;.
What are the key properties of 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium?
1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium has a molecular weight of 416.92 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydroindazole-3,6-diide;tungsten;yttrium is sourced from PubChem (CID 59708904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).