5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)

C19H22N4W — CID 59252448

IUPAC5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
SMILESCc1[c-]c(C)c(C)c(C)c1C.Cc1nc(-c2cc[c-]nc2)n[nH]1.[W+2]
InChIInChI=1S/C11H15.C8H7N4.W/c1-7-6-8(2)10(4)11(5)9(7)3;1-6-10-8(12-11-6)7-3-2-4-9-5-7;/h1-5H3;2-3,5H,1H3,(H,10,11,12);/q2*-1;+2
InChIKeyFCEIBEUKRRBPSF-UHFFFAOYSA-N
MW490.25 g/mol
LogP4.00
Rot. Bonds1

About 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)

5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+) (PubChem CID 59252448) has the molecular formula C19H22N4W and a molecular weight of 490.25 g/mol. Its IUPAC name is 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+).

Molecular Properties

Compound Name5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
PubChem CID59252448
Molecular FormulaC19H22N4W
Molecular Weight490.25 g/mol
Exact Mass490.14
IUPAC Name5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
SMILESCc1[c-]c(C)c(C)c(C)c1C.Cc1nc(-c2cc[c-]nc2)n[nH]1.[W+2]
InChIInChI=1S/C11H15.C8H7N4.W/c1-7-6-8(2)10(4)11(5)9(7)3;1-6-10-8(12-11-6)7-3-2-4-9-5-7;/h1-5H3;2-3,5H,1H3,(H,10,11,12);/q2*-1;+2
InChIKeyFCEIBEUKRRBPSF-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+) with MolForge

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Related Compounds

3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
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CID 59233287
1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)
CID 59252450
N-(3,4-dihydropyridin-6-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexa-1,3-dien-1-amine
CID 68029945
5-methyl-3-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]-1H-1,2,4-triazole
CID 88947372
5-methyl-3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-1,2,4-triazole
CID 89611446
5-methyl-3-[(3E)-2-methylpenta-1,3-dien-3-yl]-1H-1,2,4-triazole
CID 117885874
2-imino-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-1-carbothioamide
CID 123434713
5-tert-butyl-3-[(3Z)-hepta-1,3,5-trien-2-yl]-1H-1,2,4-triazole
CID 123727216
3-hexa-1,3-dien-2-yl-5-methyl-1H-1,2,4-triazole
CID 123876442
5-methyl-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1H-1,2,4-triazole
CID 130342945
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methyl-1H-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)?
The IUPAC name of 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+) (CID 59252448) is 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+).
What is the SMILES notation for 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)?
The canonical SMILES for 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+) is Cc1[c-]c(C)c(C)c(C)c1C.Cc1nc(-c2cc[c-]nc2)n[nH]1.[W+2].
What is the InChIKey of 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)?
The InChIKey is FCEIBEUKRRBPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.C8H7N4.W/c1-7-6-8(2)10(4)11(5)9(7)3;1-6-10-8(12-11-6)7-3-2-4-9-5-7;/h1-5H3;2-3,5H,1H3,(H,10,11,12);/q2*-1;+2.
What are the key properties of 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)?
5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+) has a molecular weight of 490.25 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+) is sourced from PubChem (CID 59252448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).