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

C12H24N6O3 — CID 57100448

IUPAC2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCNc1nc(NCCOC)nc(NCCOC)n1
InChIInChI=1S/C12H24N6O3/c1-19-7-4-13-10-16-11(14-5-8-20-2)18-12(17-10)15-6-9-21-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeySEHILZUPYWMWKV-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.05
Rot. Bonds12

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

2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 57100448) has the molecular formula C12H24N6O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID57100448
Molecular FormulaC12H24N6O3
Molecular Weight300.36 g/mol
Exact Mass300.19
IUPAC Name2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCNc1nc(NCCOC)nc(NCCOC)n1
InChIInChI=1S/C12H24N6O3/c1-19-7-4-13-10-16-11(14-5-8-20-2)18-12(17-10)15-6-9-21-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeySEHILZUPYWMWKV-UHFFFAOYSA-N
XLogP0.05
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine (CID 57100448) is 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine is COCCNc1nc(NCCOC)nc(NCCOC)n1.
What is the InChIKey of 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SEHILZUPYWMWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O3/c1-19-7-4-13-10-16-11(14-5-8-20-2)18-12(17-10)15-6-9-21-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 300.36 g/mol, XLogP of 0.05, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57100448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).