2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione

C9H12N6O3 — CID 103744378

IUPAC2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCc2ncno2)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N6O3/c1-14-8(16)7(13-15(2)9(14)17)10-4-3-6-11-5-12-18-6/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyRDFHDNUYGJHWDX-UHFFFAOYSA-N
MW252.23 g/mol
LogP-1.48
Rot. Bonds4

About 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione (PubChem CID 103744378) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione
PubChem CID103744378
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCc2ncno2)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N6O3/c1-14-8(16)7(13-15(2)9(14)17)10-4-3-6-11-5-12-18-6/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyRDFHDNUYGJHWDX-UHFFFAOYSA-N
XLogP-1.48
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione (CID 103744378) is 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione is Cn1nc(NCCc2ncno2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is RDFHDNUYGJHWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c1-14-8(16)7(13-15(2)9(14)17)10-4-3-6-11-5-12-18-6/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 252.23 g/mol, XLogP of -1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103744378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).