2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine

C13H26N6O3 — CID 22904190

IUPAC2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCOC(Nc1nc(N)nc(N)n1)(OCCC)OCCC
InChIInChI=1S/C13H26N6O3/c1-4-7-20-13(21-8-5-2,22-9-6-3)19-12-17-10(14)16-11(15)18-12/h4-9H2,1-3H3,(H5,14,15,16,17,18,19)
InChIKeyXLEZHQCOSSCNTF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.34
Rot. Bonds11

About 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 22904190) has the molecular formula C13H26N6O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID22904190
Molecular FormulaC13H26N6O3
Molecular Weight314.39 g/mol
Exact Mass314.21
IUPAC Name2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCOC(Nc1nc(N)nc(N)n1)(OCCC)OCCC
InChIInChI=1S/C13H26N6O3/c1-4-7-20-13(21-8-5-2,22-9-6-3)19-12-17-10(14)16-11(15)18-12/h4-9H2,1-3H3,(H5,14,15,16,17,18,19)
InChIKeyXLEZHQCOSSCNTF-UHFFFAOYSA-N
XLogP1.34
TPSA130.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N-(tripropoxymethyl)-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-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 22904190) is 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCOC(Nc1nc(N)nc(N)n1)(OCCC)OCCC.
What is the InChIKey of 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XLEZHQCOSSCNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O3/c1-4-7-20-13(21-8-5-2,22-9-6-3)19-12-17-10(14)16-11(15)18-12/h4-9H2,1-3H3,(H5,14,15,16,17,18,19).
What are the key properties of 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 314.39 g/mol, XLogP of 1.34, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22904190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).