1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione

C12H24N6O3 — CID 3076346

IUPAC1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCNCCn1c(=O)n(CCNC)c(=O)n(CCNC)c1=O
InChIInChI=1S/C12H24N6O3/c1-13-4-7-16-10(19)17(8-5-14-2)12(21)18(11(16)20)9-6-15-3/h13-15H,4-9H2,1-3H3
InChIKeyVBJHCSKNZBOZFA-UHFFFAOYSA-N
MW300.36 g/mol
LogP-3.17
Rot. Bonds9

About 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 3076346) has the molecular formula C12H24N6O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID3076346
Molecular FormulaC12H24N6O3
Molecular Weight300.36 g/mol
Exact Mass300.19
IUPAC Name1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCNCCn1c(=O)n(CCNC)c(=O)n(CCNC)c1=O
InChIInChI=1S/C12H24N6O3/c1-13-4-7-16-10(19)17(8-5-14-2)12(21)18(11(16)20)9-6-15-3/h13-15H,4-9H2,1-3H3
InChIKeyVBJHCSKNZBOZFA-UHFFFAOYSA-N
XLogP-3.17
TPSA102.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-3.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione (CID 3076346) is 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione is CNCCn1c(=O)n(CCNC)c(=O)n(CCNC)c1=O.
What is the InChIKey of 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VBJHCSKNZBOZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O3/c1-13-4-7-16-10(19)17(8-5-14-2)12(21)18(11(16)20)9-6-15-3/h13-15H,4-9H2,1-3H3.
What are the key properties of 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 300.36 g/mol, XLogP of -3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 3076346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).