3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)

C5H5N3W2 — CID 58904784

IUPAC3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)
SMILES[H]/[C-]=C/c1nnc(C)[n-]1.[W+2].[W]
InChIInChI=1S/C5H5N3.2W/c1-3-5-6-4(2)7-8-5;;/h1,3H,2H3;;/q-2;;+2
InChIKeyDSVDFQVQDKOIRM-UHFFFAOYSA-N
MW474.80 g/mol
LogP0.18
Rot. Bonds1

About 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)

3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+) (PubChem CID 58904784) has the molecular formula C5H5N3W2 and a molecular weight of 474.80 g/mol. Its IUPAC name is 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+).

Molecular Properties

Compound Name3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)
PubChem CID58904784
Molecular FormulaC5H5N3W2
Molecular Weight474.80 g/mol
Exact Mass474.95
IUPAC Name3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)
SMILES[H]/[C-]=C/c1nnc(C)[n-]1.[W+2].[W]
InChIInChI=1S/C5H5N3.2W/c1-3-5-6-4(2)7-8-5;;/h1,3H,2H3;;/q-2;;+2
InChIKeyDSVDFQVQDKOIRM-UHFFFAOYSA-N
XLogP0.18
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.80
LogP ≤ 50.18
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

2-(5-Methyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)ethylidenetungsten;tungsten
CID 58599531
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647
5-Ethenyl-3-methyl-1,2,4-triazol-1-amine
CID 123415128
3-Ethenyl-1,5-dimethyl-1,2,4-triazole
CID 129222124
5-Ethenyl-1,3-dimethyl-1,2,4-triazole
CID 143191750
N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine
CID 163874071
(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
CID 143479694
(Z)-N-(5-ethenyl-3-methyl-1,2,4-triazol-1-yl)butan-2-imine
CID 168262275

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)?
The IUPAC name of 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+) (CID 58904784) is 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+).
What is the SMILES notation for 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)?
The canonical SMILES for 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+) is [H]/[C-]=C/c1nnc(C)[n-]1.[W+2].[W].
What is the InChIKey of 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)?
The InChIKey is DSVDFQVQDKOIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3.2W/c1-3-5-6-4(2)7-8-5;;/h1,3H,2H3;;/q-2;;+2.
What are the key properties of 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)?
3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+) has a molecular weight of 474.80 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+) is sourced from PubChem (CID 58904784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).