2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

C17H32N6O8 — CID 67920116

IUPAC2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CC(=O)OCC(OC)(OC)OC.COCNc1nc(N)nc(N(COC)COC)n1
InChIInChI=1S/C9H18N6O3.C8H14O5/c1-16-4-11-8-12-7(10)13-9(14-8)15(5-17-2)6-18-3;1-5-7(9)13-6-8(10-2,11-3)12-4/h4-6H2,1-3H3,(H3,10,11,12,13,14);5H,1,6H2,2-4H3
InChIKeyFKJZYLAVRRRHBH-UHFFFAOYSA-N
MW448.48 g/mol
LogP-0.21
Rot. Bonds14

About 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 67920116) has the molecular formula C17H32N6O8 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID67920116
Molecular FormulaC17H32N6O8
Molecular Weight448.48 g/mol
Exact Mass448.23
IUPAC Name2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CC(=O)OCC(OC)(OC)OC.COCNc1nc(N)nc(N(COC)COC)n1
InChIInChI=1S/C9H18N6O3.C8H14O5/c1-16-4-11-8-12-7(10)13-9(14-8)15(5-17-2)6-18-3;1-5-7(9)13-6-8(10-2,11-3)12-4/h4-6H2,1-3H3,(H3,10,11,12,13,14);5H,1,6H2,2-4H3
InChIKeyFKJZYLAVRRRHBH-UHFFFAOYSA-N
XLogP-0.21
TPSA161.64 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 67920116) is 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=CC(=O)OCC(OC)(OC)OC.COCNc1nc(N)nc(N(COC)COC)n1.
What is the InChIKey of 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FKJZYLAVRRRHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3.C8H14O5/c1-16-4-11-8-12-7(10)13-9(14-8)15(5-17-2)6-18-3;1-5-7(9)13-6-8(10-2,11-3)12-4/h4-6H2,1-3H3,(H3,10,11,12,13,14);5H,1,6H2,2-4H3.
What are the key properties of 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 448.48 g/mol, XLogP of -0.21, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trimethoxyethyl prop-2-enoate;2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67920116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).