4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione

C13H17N3O2 — CID 166249450

IUPAC4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione
SMILESCCC1(CC)CC(=O)N(c2cccnc2)NC1=O
InChIInChI=1S/C13H17N3O2/c1-3-13(4-2)8-11(17)16(15-12(13)18)10-6-5-7-14-9-10/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyPUAYZDQKFNMMEF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.66
Rot. Bonds3

About 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione

4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione (PubChem CID 166249450) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione.

Molecular Properties

Compound Name4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione
PubChem CID166249450
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione
SMILESCCC1(CC)CC(=O)N(c2cccnc2)NC1=O
InChIInChI=1S/C13H17N3O2/c1-3-13(4-2)8-11(17)16(15-12(13)18)10-6-5-7-14-9-10/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)
InChIKeyPUAYZDQKFNMMEF-UHFFFAOYSA-N
XLogP1.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione?
The IUPAC name of 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione (CID 166249450) is 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione.
What is the SMILES notation for 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione?
The canonical SMILES for 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione is CCC1(CC)CC(=O)N(c2cccnc2)NC1=O.
What is the InChIKey of 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione?
The InChIKey is PUAYZDQKFNMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-13(4-2)8-11(17)16(15-12(13)18)10-6-5-7-14-9-10/h5-7,9H,3-4,8H2,1-2H3,(H,15,18).
What are the key properties of 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione?
4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione has a molecular weight of 247.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-pyridin-3-yldiazinane-3,6-dione is sourced from PubChem (CID 166249450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).