2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine

C9H19N7O2 — CID 169082616

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(N)nc(N)n1
InChIInChI=1S/C9H19N7O2/c10-1-3-17-5-6-18-4-2-13-9-15-7(11)14-8(12)16-9/h1-6,10H2,(H5,11,12,13,14,15,16)
InChIKeyCUQHFYVHVQLSFS-UHFFFAOYSA-N
MW257.30 g/mol
LogP-1.56
Rot. Bonds9

About 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 169082616) has the molecular formula C9H19N7O2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID169082616
Molecular FormulaC9H19N7O2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(N)nc(N)n1
InChIInChI=1S/C9H19N7O2/c10-1-3-17-5-6-18-4-2-13-9-15-7(11)14-8(12)16-9/h1-6,10H2,(H5,11,12,13,14,15,16)
InChIKeyCUQHFYVHVQLSFS-UHFFFAOYSA-N
XLogP-1.56
TPSA147.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
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-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine (CID 169082616) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine is NCCOCCOCCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CUQHFYVHVQLSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N7O2/c10-1-3-17-5-6-18-4-2-13-9-15-7(11)14-8(12)16-9/h1-6,10H2,(H5,11,12,13,14,15,16).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 257.30 g/mol, XLogP of -1.56, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 169082616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).