6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine

C13H20N4 — CID 167341893

IUPAC6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cn2cnnc2c(C(C)(C)C)n1
InChIInChI=1S/C13H20N4/c1-12(2,3)9-7-17-8-14-16-11(17)10(15-9)13(4,5)6/h7-8H,1-6H3
InChIKeyPTNWCLOIHHYLQI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.72
Rot. Bonds

About 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine

6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 167341893) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID167341893
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cn2cnnc2c(C(C)(C)C)n1
InChIInChI=1S/C13H20N4/c1-12(2,3)9-7-17-8-14-16-11(17)10(15-9)13(4,5)6/h7-8H,1-6H3
InChIKeyPTNWCLOIHHYLQI-UHFFFAOYSA-N
XLogP2.72
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-ditert-butylimidazo[1,2-a]pyrazine
CID 139576322
2-tert-butylimidazo[1,2-a]pyrimidine;2,2-dimethylpropane
CID 158552648
1-(2-tert-butylimidazo[1,2-a]pyrimidin-6-yl)ethanamine
CID 83836823
6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 82059481
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 58157464
2-tert-butyl-7-methylimidazo[1,2-a]pyridin-8-amine
CID 82059965
6-tert-butyl-2-chloroimidazo[2,1-b][1,3]thiazole
CID 126691238
2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde
CID 83832182
6,8-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 177282799
1-(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)ethanone
CID 154728329
(2-tert-butylimidazo[1,2-a]pyridin-8-yl)methanol
CID 46205731
2-tert-butylimidazo[1,2-a]pyrazine-8-carboxylic acid
CID 63260372

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 167341893) is 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)c1cn2cnnc2c(C(C)(C)C)n1.
What is the InChIKey of 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PTNWCLOIHHYLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-12(2,3)9-7-17-8-14-16-11(17)10(15-9)13(4,5)6/h7-8H,1-6H3.
What are the key properties of 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine?
6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 232.33 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 167341893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).