5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten

C9H11N4O3W- — CID 134859287

IUPAC5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten
SMILESCOc1nc(OC)nc(C2CCC(=O)[N-]2)n1.[W]
InChIInChI=1S/C9H12N4O3.W/c1-15-8-11-7(12-9(13-8)16-2)5-3-4-6(14)10-5;/h5H,3-4H2,1-2H3,(H,10,14);/p-1
InChIKeySBUZBOJBAVQCTH-UHFFFAOYSA-M
MW407.05 g/mol
LogP0.62
Rot. Bonds3

About 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten

5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten (PubChem CID 134859287) has the molecular formula C9H11N4O3W- and a molecular weight of 407.05 g/mol. Its IUPAC name is 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten.

Molecular Properties

Compound Name5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten
PubChem CID134859287
Molecular FormulaC9H11N4O3W-
Molecular Weight407.05 g/mol
Exact Mass407.03
IUPAC Name5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten
SMILESCOc1nc(OC)nc(C2CCC(=O)[N-]2)n1.[W]
InChIInChI=1S/C9H12N4O3.W/c1-15-8-11-7(12-9(13-8)16-2)5-3-4-6(14)10-5;/h5H,3-4H2,1-2H3,(H,10,14);/p-1
InChIKeySBUZBOJBAVQCTH-UHFFFAOYSA-M
XLogP0.62
TPSA88.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.05
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten?
The IUPAC name of 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten (CID 134859287) is 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten.
What is the SMILES notation for 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten?
The canonical SMILES for 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten is COc1nc(OC)nc(C2CCC(=O)[N-]2)n1.[W].
What is the InChIKey of 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten?
The InChIKey is SBUZBOJBAVQCTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N4O3.W/c1-15-8-11-7(12-9(13-8)16-2)5-3-4-6(14)10-5;/h5H,3-4H2,1-2H3,(H,10,14);/p-1.
What are the key properties of 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten?
5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten has a molecular weight of 407.05 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-1-id-2-one;tungsten is sourced from PubChem (CID 134859287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).