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

C18H20N4W — CID 59252450

IUPAC1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)
SMILESCc1[c-]c(C)c(C)c(C)c1C.[W+2].[c-]1ccc(-c2ncn[nH]2)cn1
InChIInChI=1S/C11H15.C7H5N4.W/c1-7-6-8(2)10(4)11(5)9(7)3;1-2-6(4-8-3-1)7-9-5-10-11-7;/h1-5H3;1-2,4-5H,(H,9,10,11);/q2*-1;+2
InChIKeyOSTPFEKYXQNFRK-UHFFFAOYSA-N
MW476.23 g/mol
LogP3.69
Rot. Bonds1

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

1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+) (PubChem CID 59252450) has the molecular formula C18H20N4W and a molecular weight of 476.23 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+).

Molecular Properties

Compound Name1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)
PubChem CID59252450
Molecular FormulaC18H20N4W
Molecular Weight476.23 g/mol
Exact Mass476.12
IUPAC Name1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)
SMILESCc1[c-]c(C)c(C)c(C)c1C.[W+2].[c-]1ccc(-c2ncn[nH]2)cn1
InChIInChI=1S/C11H15.C7H5N4.W/c1-7-6-8(2)10(4)11(5)9(7)3;1-2-6(4-8-3-1)7-9-5-10-11-7;/h1-5H3;1-2,4-5H,(H,9,10,11);/q2*-1;+2
InChIKeyOSTPFEKYXQNFRK-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
5-[(2E,4Z)-octa-2,4-dien-3-yl]-1H-1,2,4-triazole
CID 117662523
5-[(3E)-4-methylhepta-1,3-dien-2-yl]-1H-1,2,4-triazole
CID 124005216
1-methyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395353
1-methyl-3-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395357
1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395362
ethane;[3-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-1,2,4-triazol-5-yl]methanamine
CID 141879699
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroazepine;molecular hydrogen
CID 142136444
ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole
CID 143413768
ethane;5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-1,2,4-triazole
CID 144523472
5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-1,2,4-triazole
CID 144523473
(2E,4Z)-N-methyl-2-(1H-1,2,4-triazol-5-yl)hexa-2,4-dien-1-imine
CID 144523482

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)?
The IUPAC name of 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+) (CID 59252450) is 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+).
What is the SMILES notation for 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)?
The canonical SMILES for 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+) is Cc1[c-]c(C)c(C)c(C)c1C.[W+2].[c-]1ccc(-c2ncn[nH]2)cn1.
What is the InChIKey of 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)?
The InChIKey is OSTPFEKYXQNFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.C7H5N4.W/c1-7-6-8(2)10(4)11(5)9(7)3;1-2-6(4-8-3-1)7-9-5-10-11-7;/h1-5H3;1-2,4-5H,(H,9,10,11);/q2*-1;+2.
What are the key properties of 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)?
1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+) has a molecular weight of 476.23 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+) is sourced from PubChem (CID 59252450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).