2,4,6-tris(aziridin-1-yl)-1,3,5-triazine

C9H12N6 — CID 5799

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IUPAC2,4,6-tris(aziridin-1-yl)-1,3,5-triazine
SMILESC1CN1c1nc(N2CC2)nc(N2CC2)n1
InChIInChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2
InChIKeyIUCJMVBFZDHPDX-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.67
Rot. Bonds3

About 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine

2,4,6-tris(aziridin-1-yl)-1,3,5-triazine (PubChem CID 5799) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(aziridin-1-yl)-1,3,5-triazine
PubChem CID5799
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2,4,6-tris(aziridin-1-yl)-1,3,5-triazine
SMILESC1CN1c1nc(N2CC2)nc(N2CC2)n1
InChIInChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2
InChIKeyIUCJMVBFZDHPDX-UHFFFAOYSA-N
XLogP-0.67
TPSA47.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Tris(2-methyl-1-aziridinyl)-1,3,5-triazine
CID 94344
1,3,5-Triazine, 2,4,6-tris(2-ethyl-1-aziridinyl)-
CID 86807
1,3,5-Triazine, 2,4-bis(1-aziridinyl)-6-chloro-
CID 97420
diethylenimino-S-triazine
CID 85914744
1,3,5-Triazine, 2-aziridino-4,6-diamino-
CID 152096
1,3,5-Triazine, 2,4-bis(1-aziridinyl)-6-methyl-
CID 152504
s-Triazine, 2,4-bis(1-aziridinyl)-6-methoxy-
CID 161096
s-Triazine, 2,4-bis(1-aziridinyl)-6-(methylamino)-
CID 145878
s-Triazine, 2,4-bis(1-aziridinyl)-6-ethoxy-
CID 149060
2,4,6-Tris(2,2-dimethylaziridin-1-yl)-1,3,5-triazine
CID 268580
4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-amine
CID 20981859
1-[Bis(aziridin-1-yl)phosphoryl]aziridine;2,4,6-tris(aziridin-1-yl)-1,3,5-triazine
CID 87990667

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine (CID 5799) is 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine is C1CN1c1nc(N2CC2)nc(N2CC2)n1.
What is the InChIKey of 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine?
The InChIKey is IUCJMVBFZDHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2.
What are the key properties of 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine?
2,4,6-tris(aziridin-1-yl)-1,3,5-triazine has a molecular weight of 204.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 5799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).