1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione

C30H48N6O6 — CID 59029940

IUPAC1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
SMILESC=CCN(CC=C)CC(O)Cn1c(=O)n(CC(O)CN(CC=C)CC=C)c(=O)n(CC(O)CN(CC=C)CC=C)c1=O
InChIInChI=1S/C30H48N6O6/c1-7-13-31(14-8-2)19-25(37)22-34-28(40)35(23-26(38)20-32(15-9-3)16-10-4)30(42)36(29(34)41)24-27(39)21-33(17-11-5)18-12-6/h7-12,25-27,37-39H,1-6,13-24H2
InChIKeyZZFFWXPYIRLAJZ-UHFFFAOYSA-N
MW588.75 g/mol
LogP-0.72
Rot. Bonds24

About 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 59029940) has the molecular formula C30H48N6O6 and a molecular weight of 588.75 g/mol. Its IUPAC name is 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID59029940
Molecular FormulaC30H48N6O6
Molecular Weight588.75 g/mol
Exact Mass588.36
IUPAC Name1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
SMILESC=CCN(CC=C)CC(O)Cn1c(=O)n(CC(O)CN(CC=C)CC=C)c(=O)n(CC(O)CN(CC=C)CC=C)c1=O
InChIInChI=1S/C30H48N6O6/c1-7-13-31(14-8-2)19-25(37)22-34-28(40)35(23-26(38)20-32(15-9-3)16-10-4)30(42)36(29(34)41)24-27(39)21-33(17-11-5)18-12-6/h7-12,25-27,37-39H,1-6,13-24H2
InChIKeyZZFFWXPYIRLAJZ-UHFFFAOYSA-N
XLogP-0.72
TPSA136.41 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione (CID 59029940) is 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione is C=CCN(CC=C)CC(O)Cn1c(=O)n(CC(O)CN(CC=C)CC=C)c(=O)n(CC(O)CN(CC=C)CC=C)c1=O.
What is the InChIKey of 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZZFFWXPYIRLAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N6O6/c1-7-13-31(14-8-2)19-25(37)22-34-28(40)35(23-26(38)20-32(15-9-3)16-10-4)30(42)36(29(34)41)24-27(39)21-33(17-11-5)18-12-6/h7-12,25-27,37-39H,1-6,13-24H2.
What are the key properties of 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 588.75 g/mol, XLogP of -0.72, 24 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59029940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).