5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione

C8H10N4O3 — CID 77073653

IUPAC5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(Cc2ncon2)C(=O)NC1=O
InChIInChI=1S/C8H10N4O3/c1-5-2-12(8(14)10-7(5)13)3-6-9-4-15-11-6/h4-5H,2-3H2,1H3,(H,10,13,14)
InChIKeyVWZIWFLREWQUOG-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.24
Rot. Bonds2

About 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione

5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione (PubChem CID 77073653) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione
PubChem CID77073653
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(Cc2ncon2)C(=O)NC1=O
InChIInChI=1S/C8H10N4O3/c1-5-2-12(8(14)10-7(5)13)3-6-9-4-15-11-6/h4-5H,2-3H2,1H3,(H,10,13,14)
InChIKeyVWZIWFLREWQUOG-UHFFFAOYSA-N
XLogP-0.24
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione (CID 77073653) is 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione is CC1CN(Cc2ncon2)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The InChIKey is VWZIWFLREWQUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-5-2-12(8(14)10-7(5)13)3-6-9-4-15-11-6/h4-5H,2-3H2,1H3,(H,10,13,14).
What are the key properties of 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77073653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).