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

C21H27N9 — CID 67751874

IUPAC2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine
SMILESCCc1nc(C)cn1-c1nc(-n2cc(C)nc2CC)nc(-n2cc(C)nc2CC)n1
InChIInChI=1S/C21H27N9/c1-7-16-22-13(4)10-28(16)19-25-20(29-11-14(5)23-17(29)8-2)27-21(26-19)30-12-15(6)24-18(30)9-3/h10-12H,7-9H2,1-6H3
InChIKeyQPJIQDQTJCGZSG-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.04
Rot. Bonds6

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

2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine (PubChem CID 67751874) has the molecular formula C21H27N9 and a molecular weight of 405.51 g/mol. Its IUPAC name is 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine
PubChem CID67751874
Molecular FormulaC21H27N9
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC Name2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine
SMILESCCc1nc(C)cn1-c1nc(-n2cc(C)nc2CC)nc(-n2cc(C)nc2CC)n1
InChIInChI=1S/C21H27N9/c1-7-16-22-13(4)10-28(16)19-25-20(29-11-14(5)23-17(29)8-2)27-21(26-19)30-12-15(6)24-18(30)9-3/h10-12H,7-9H2,1-6H3
InChIKeyQPJIQDQTJCGZSG-UHFFFAOYSA-N
XLogP3.04
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine (CID 67751874) is 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine is CCc1nc(C)cn1-c1nc(-n2cc(C)nc2CC)nc(-n2cc(C)nc2CC)n1.
What is the InChIKey of 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine?
The InChIKey is QPJIQDQTJCGZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N9/c1-7-16-22-13(4)10-28(16)19-25-20(29-11-14(5)23-17(29)8-2)27-21(26-19)30-12-15(6)24-18(30)9-3/h10-12H,7-9H2,1-6H3.
What are the key properties of 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine?
2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine has a molecular weight of 405.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-ethyl-4-methylimidazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 67751874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).