6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine

C11H20N8O — CID 742829

IUPAC6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
SMILES[H]/N=C1\N(CC)OCN1c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H20N8O/c1-6-19-8(12)18(7-20-19)11-14-9(16(2)3)13-10(15-11)17(4)5/h12H,6-7H2,1-5H3/b12-8-
InChIKeySPTRTPHDFLKIJJ-WQLSENKSSA-N
MW280.34 g/mol
LogP-0.03
Rot. Bonds4

About 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine

6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine (PubChem CID 742829) has the molecular formula C11H20N8O and a molecular weight of 280.34 g/mol. Its IUPAC name is 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
PubChem CID742829
Molecular FormulaC11H20N8O
Molecular Weight280.34 g/mol
Exact Mass280.18
IUPAC Name6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
SMILES[H]/N=C1\N(CC)OCN1c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H20N8O/c1-6-19-8(12)18(7-20-19)11-14-9(16(2)3)13-10(15-11)17(4)5/h12H,6-7H2,1-5H3/b12-8-
InChIKeySPTRTPHDFLKIJJ-WQLSENKSSA-N
XLogP-0.03
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine (CID 742829) is 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine is [H]/N=C1\N(CC)OCN1c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SPTRTPHDFLKIJJ-WQLSENKSSA-N. The full InChI is InChI=1S/C11H20N8O/c1-6-19-8(12)18(7-20-19)11-14-9(16(2)3)13-10(15-11)17(4)5/h12H,6-7H2,1-5H3/b12-8-.
What are the key properties of 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 280.34 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 742829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).