6-tert-butylimidazo[1,5-a][1,3,5]triazine

C9H12N4 — CID 90328703

IUPAC6-tert-butylimidazo[1,5-a][1,3,5]triazine
SMILESCC(C)(C)c1ncc2ncncn12
InChIInChI=1S/C9H12N4/c1-9(2,3)8-11-4-7-12-5-10-6-13(7)8/h4-6H,1-3H3
InChIKeyUHGAUCHVJAWORK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.42
Rot. Bonds

About 6-tert-butylimidazo[1,5-a][1,3,5]triazine

6-tert-butylimidazo[1,5-a][1,3,5]triazine (PubChem CID 90328703) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-tert-butylimidazo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name6-tert-butylimidazo[1,5-a][1,3,5]triazine
PubChem CID90328703
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6-tert-butylimidazo[1,5-a][1,3,5]triazine
SMILESCC(C)(C)c1ncc2ncncn12
InChIInChI=1S/C9H12N4/c1-9(2,3)8-11-4-7-12-5-10-6-13(7)8/h4-6H,1-3H3
InChIKeyUHGAUCHVJAWORK-UHFFFAOYSA-N
XLogP1.42
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylimidazo[1,5-a][1,3,5]triazine?
The IUPAC name of 6-tert-butylimidazo[1,5-a][1,3,5]triazine (CID 90328703) is 6-tert-butylimidazo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 6-tert-butylimidazo[1,5-a][1,3,5]triazine?
The canonical SMILES for 6-tert-butylimidazo[1,5-a][1,3,5]triazine is CC(C)(C)c1ncc2ncncn12.
What is the InChIKey of 6-tert-butylimidazo[1,5-a][1,3,5]triazine?
The InChIKey is UHGAUCHVJAWORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(2,3)8-11-4-7-12-5-10-6-13(7)8/h4-6H,1-3H3.
What are the key properties of 6-tert-butylimidazo[1,5-a][1,3,5]triazine?
6-tert-butylimidazo[1,5-a][1,3,5]triazine has a molecular weight of 176.22 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylimidazo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 90328703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).