4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione

C20H17N5O2 — CID 1089007

IUPAC4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1n(-c2ccccc2)c(=O)n(Cc2ccccn2)n1Cc1ccccn1
InChIInChI=1S/C20H17N5O2/c26-19-23(14-16-8-4-6-12-21-16)24(15-17-9-5-7-13-22-17)20(27)25(19)18-10-2-1-3-11-18/h1-13H,14-15H2
InChIKeyYOKBMPZHWXLMDP-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.69
Rot. Bonds5

About 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione

4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 1089007) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
PubChem CID1089007
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1n(-c2ccccc2)c(=O)n(Cc2ccccn2)n1Cc1ccccn1
InChIInChI=1S/C20H17N5O2/c26-19-23(14-16-8-4-6-12-21-16)24(15-17-9-5-7-13-22-17)20(27)25(19)18-10-2-1-3-11-18/h1-13H,14-15H2
InChIKeyYOKBMPZHWXLMDP-UHFFFAOYSA-N
XLogP1.69
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione (CID 1089007) is 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione is O=c1n(-c2ccccc2)c(=O)n(Cc2ccccn2)n1Cc1ccccn1.
What is the InChIKey of 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is YOKBMPZHWXLMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-19-23(14-16-8-4-6-12-21-16)24(15-17-9-5-7-13-22-17)20(27)25(19)18-10-2-1-3-11-18/h1-13H,14-15H2.
What are the key properties of 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione?
4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 359.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 1089007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).