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

C27H33N9 — CID 58250564

IUPAC2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)nn3)nc(-c3ccc(C(C)(C)C)nn3)n2)nn1
InChIInChI=1S/C27H33N9/c1-25(2,3)19-13-10-16(31-34-19)22-28-23(17-11-14-20(35-32-17)26(4,5)6)30-24(29-22)18-12-15-21(36-33-18)27(7,8)9/h10-15H,1-9H3
InChIKeyYSRCPFPHHAPOOM-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.14
Rot. Bonds3

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

2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine (PubChem CID 58250564) has the molecular formula C27H33N9 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine
PubChem CID58250564
Molecular FormulaC27H33N9
Molecular Weight483.62 g/mol
Exact Mass483.29
IUPAC Name2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)nn3)nc(-c3ccc(C(C)(C)C)nn3)n2)nn1
InChIInChI=1S/C27H33N9/c1-25(2,3)19-13-10-16(31-34-19)22-28-23(17-11-14-20(35-32-17)26(4,5)6)30-24(29-22)18-12-15-21(36-33-18)27(7,8)9/h10-15H,1-9H3
InChIKeyYSRCPFPHHAPOOM-UHFFFAOYSA-N
XLogP5.14
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 55.14
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(6-tert-butylpyridazin-3-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine (CID 58250564) is 2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)nn3)nc(-c3ccc(C(C)(C)C)nn3)n2)nn1.
What is the InChIKey of 2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine?
The InChIKey is YSRCPFPHHAPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9/c1-25(2,3)19-13-10-16(31-34-19)22-28-23(17-11-14-20(35-32-17)26(4,5)6)30-24(29-22)18-12-15-21(36-33-18)27(7,8)9/h10-15H,1-9H3.
What are the key properties of 2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine?
2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine has a molecular weight of 483.62 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(6-tert-butylpyridazin-3-yl)-1,3,5-triazine is sourced from PubChem (CID 58250564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).