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

C12H27N9 — CID 59765899

IUPAC2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(N)CNc1nc(NCC(C)N)nc(NCC(C)N)n1
InChIInChI=1S/C12H27N9/c1-7(13)4-16-10-19-11(17-5-8(2)14)21-12(20-10)18-6-9(3)15/h7-9H,4-6,13-15H2,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyXJZWIYQJUJSMQO-UHFFFAOYSA-N
MW297.41 g/mol
LogP-0.85
Rot. Bonds9

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

2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 59765899) has the molecular formula C12H27N9 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID59765899
Molecular FormulaC12H27N9
Molecular Weight297.41 g/mol
Exact Mass297.24
IUPAC Name2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(N)CNc1nc(NCC(C)N)nc(NCC(C)N)n1
InChIInChI=1S/C12H27N9/c1-7(13)4-16-10-19-11(17-5-8(2)14)21-12(20-10)18-6-9(3)15/h7-9H,4-6,13-15H2,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyXJZWIYQJUJSMQO-UHFFFAOYSA-N
XLogP-0.85
TPSA152.82 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.41
LogP ≤ 5-0.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine (CID 59765899) is 2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine is CC(N)CNc1nc(NCC(C)N)nc(NCC(C)N)n1.
What is the InChIKey of 2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XJZWIYQJUJSMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N9/c1-7(13)4-16-10-19-11(17-5-8(2)14)21-12(20-10)18-6-9(3)15/h7-9H,4-6,13-15H2,1-3H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 297.41 g/mol, XLogP of -0.85, 9 rotatable bonds, 6 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-aminopropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59765899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).