ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione

C9H17N3O2 — CID 170980144

IUPACethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC.CCc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O2.C2H6/c1-4-5-6(11)9(2)7(12)10(3)8-5;1-2/h4H2,1-3H3;1-2H3
InChIKeyXEMDSHXZFITPSO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.07
Rot. Bonds1

About ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione

ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 170980144) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Nameethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID170980144
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Nameethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC.CCc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O2.C2H6/c1-4-5-6(11)9(2)7(12)10(3)8-5;1-2/h4H2,1-3H3;1-2H3
InChIKeyXEMDSHXZFITPSO-UHFFFAOYSA-N
XLogP0.07
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 170980144) is ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC.CCc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is XEMDSHXZFITPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.C2H6/c1-4-5-6(11)9(2)7(12)10(3)8-5;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione?
ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 199.25 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 170980144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).