4-tert-butylimidazo[1,2-a][1,3,5]triazine

C9H12N4 — CID 118445890

IUPAC4-tert-butylimidazo[1,2-a][1,3,5]triazine
SMILESCC(C)(C)c1ncnc2nccn12
InChIInChI=1S/C9H12N4/c1-9(2,3)7-11-6-12-8-10-4-5-13(7)8/h4-6H,1-3H3
InChIKeyMPQPVRXGIHFIPK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.42
Rot. Bonds

About 4-tert-butylimidazo[1,2-a][1,3,5]triazine

4-tert-butylimidazo[1,2-a][1,3,5]triazine (PubChem CID 118445890) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-tert-butylimidazo[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-tert-butylimidazo[1,2-a][1,3,5]triazine
PubChem CID118445890
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name4-tert-butylimidazo[1,2-a][1,3,5]triazine
SMILESCC(C)(C)c1ncnc2nccn12
InChIInChI=1S/C9H12N4/c1-9(2,3)7-11-6-12-8-10-4-5-13(7)8/h4-6H,1-3H3
InChIKeyMPQPVRXGIHFIPK-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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Related Compounds

3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 59825854
3-tert-butylimidazo[1,5-a]pyrazine
CID 146339108
3-tert-butylimidazo[1,5-a]pyridine
CID 5119094
6-tert-butylimidazo[1,5-a][1,3,5]triazine
CID 90328703
2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine
CID 65261811
3-tert-butylimidazo[1,2-b][1,2,4]triazine
CID 22329563
3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
CID 14531586
methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
CID 155128992
3-tert-butyl-4-methyl-5-(1-methylimidazol-2-yl)-1,2,4-triazole
CID 59539739
6-tert-butyl-5-chloroimidazo[1,2-a]pyridine
CID 146326299
3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine
CID 166306445

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylimidazo[1,2-a][1,3,5]triazine?
The IUPAC name of 4-tert-butylimidazo[1,2-a][1,3,5]triazine (CID 118445890) is 4-tert-butylimidazo[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-tert-butylimidazo[1,2-a][1,3,5]triazine?
The canonical SMILES for 4-tert-butylimidazo[1,2-a][1,3,5]triazine is CC(C)(C)c1ncnc2nccn12.
What is the InChIKey of 4-tert-butylimidazo[1,2-a][1,3,5]triazine?
The InChIKey is MPQPVRXGIHFIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(2,3)7-11-6-12-8-10-4-5-13(7)8/h4-6H,1-3H3.
What are the key properties of 4-tert-butylimidazo[1,2-a][1,3,5]triazine?
4-tert-butylimidazo[1,2-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 4-tert-butylimidazo[1,2-a][1,3,5]triazine is sourced from PubChem (CID 118445890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).