2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione

C10H18N4O3 — CID 62348985

IUPAC2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione
SMILESCC(C)NCCOc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-7(2)11-5-6-17-8-9(15)13(3)10(16)14(4)12-8/h7,11H,5-6H2,1-4H3
InChIKeyUYPOMMRUEYLHRB-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.14
Rot. Bonds5

About 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione (PubChem CID 62348985) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione
PubChem CID62348985
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione
SMILESCC(C)NCCOc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-7(2)11-5-6-17-8-9(15)13(3)10(16)14(4)12-8/h7,11H,5-6H2,1-4H3
InChIKeyUYPOMMRUEYLHRB-UHFFFAOYSA-N
XLogP-1.14
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione (CID 62348985) is 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione is CC(C)NCCOc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione?
The InChIKey is UYPOMMRUEYLHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(2)11-5-6-17-8-9(15)13(3)10(16)14(4)12-8/h7,11H,5-6H2,1-4H3.
What are the key properties of 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62348985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).