2-tert-butyltriazolo[4,5-b]pyrazine

C8H11N5 — CID 162780057

IUPAC2-tert-butyltriazolo[4,5-b]pyrazine
SMILESCC(C)(C)n1nc2nccnc2n1
InChIInChI=1S/C8H11N5/c1-8(2,3)13-11-6-7(12-13)10-5-4-9-6/h4-5H,1-3H3
InChIKeyCBXHEKRSXJOEMN-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.98
Rot. Bonds

About 2-tert-butyltriazolo[4,5-b]pyrazine

2-tert-butyltriazolo[4,5-b]pyrazine (PubChem CID 162780057) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-tert-butyltriazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-tert-butyltriazolo[4,5-b]pyrazine
PubChem CID162780057
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-tert-butyltriazolo[4,5-b]pyrazine
SMILESCC(C)(C)n1nc2nccnc2n1
InChIInChI=1S/C8H11N5/c1-8(2,3)13-11-6-7(12-13)10-5-4-9-6/h4-5H,1-3H3
InChIKeyCBXHEKRSXJOEMN-UHFFFAOYSA-N
XLogP0.98
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dibromo-2-tert-butyltriazole
CID 138552608
2-tert-butylbenzotriazole;1-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine
CID 160542189
2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 101411498
7-tert-butyl-2,7,12-triazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene-6,8-dione
CID 139404981
1-tert-butyl-3-methyl-1,2,4-triazole
CID 59693907
2-tert-butyl-5-fluoropyrimidine;2-tert-butylpyrimidine;2-tert-butyltriazole
CID 165041459
2,3-bis(tert-butylsulfanyl)pyrazine
CID 71334433
1-tert-butyl-4-fluoroimidazole
CID 146378054
1-tert-butyl-4,5-diiodoimidazole
CID 67587920
2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole
CID 660408
N,N-diethylethanamine;2H-triazolo[4,5-b]pyrazine;hydrochloride
CID 66771972
2,3-dimethylimidazo[4,5-b]pyrazine
CID 59974515

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyltriazolo[4,5-b]pyrazine?
The IUPAC name of 2-tert-butyltriazolo[4,5-b]pyrazine (CID 162780057) is 2-tert-butyltriazolo[4,5-b]pyrazine.
What is the SMILES notation for 2-tert-butyltriazolo[4,5-b]pyrazine?
The canonical SMILES for 2-tert-butyltriazolo[4,5-b]pyrazine is CC(C)(C)n1nc2nccnc2n1.
What is the InChIKey of 2-tert-butyltriazolo[4,5-b]pyrazine?
The InChIKey is CBXHEKRSXJOEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-8(2,3)13-11-6-7(12-13)10-5-4-9-6/h4-5H,1-3H3.
What are the key properties of 2-tert-butyltriazolo[4,5-b]pyrazine?
2-tert-butyltriazolo[4,5-b]pyrazine has a molecular weight of 177.21 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyltriazolo[4,5-b]pyrazine is sourced from PubChem (CID 162780057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).