8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane

C68H110N22 — CID 157364425

IUPAC8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1ccn2ccncc12.CC(C)(C)c1cn2ncnc2cn1.CC(C)(C)c1cn2nncc2cn1.CC(C)(C)c1cncc2ncnn12.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1nccn2ncnc12
InChIInChI=1S/C11H14N2.5C9H12N4.6C2H6/c1-11(2,3)9-4-6-13-7-5-12-8-10(9)13;1-9(2,3)7-5-13-8(4-10-7)11-6-12-13;1-9(2,3)7-4-10-5-8-11-6-12-13(7)8;1-9(2,3)8-6-13-7(4-10-8)5-11-12-13;1-9(2,3)7-8-11-6-12-13(8)5-4-10-7;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;6*1-2/h4-8H,1-3H3;5*4-6H,1-3H3;6*1-2H3
InChIKeyBJAAPKCKIKLUHX-UHFFFAOYSA-N
MW1235.78 g/mol
LogP15.90
Rot. Bonds

About 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane

8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane (PubChem CID 157364425) has the molecular formula C68H110N22 and a molecular weight of 1235.78 g/mol. Its IUPAC name is 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane.

Molecular Properties

Compound Name8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane
PubChem CID157364425
Molecular FormulaC68H110N22
Molecular Weight1235.78 g/mol
Exact Mass1234.93
IUPAC Name8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1ccn2ccncc12.CC(C)(C)c1cn2ncnc2cn1.CC(C)(C)c1cn2nncc2cn1.CC(C)(C)c1cncc2ncnn12.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1nccn2ncnc12
InChIInChI=1S/C11H14N2.5C9H12N4.6C2H6/c1-11(2,3)9-4-6-13-7-5-12-8-10(9)13;1-9(2,3)7-5-13-8(4-10-7)11-6-12-13;1-9(2,3)7-4-10-5-8-11-6-12-13(7)8;1-9(2,3)8-6-13-7(4-10-8)5-11-12-13;1-9(2,3)7-8-11-6-12-13(8)5-4-10-7;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;6*1-2/h4-8H,1-3H3;5*4-6H,1-3H3;6*1-2H3
InChIKeyBJAAPKCKIKLUHX-UHFFFAOYSA-N
XLogP15.90
TPSA232.70 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001235.78
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane with MolForge

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Related Compounds

Savolitinib
CID 68289010
3-(Imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 53261691
3-(Imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 53261748
5-(1-Methylpyrazol-4-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine
CID 53261806
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706471
5-(1-Methylpyrazol-4-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)triazolo[4,5-b]pyrazine
CID 68287716
5-(1-Methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine
CID 68353953
1-[(1R)-1-Imidazo[1,2-a]pyridin-6-ylethyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-1,2,3-triazolo[4,5-b]pyrazine
CID 68353989
6-Methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 139326715
2-[[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145968901
8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299604
8-cyclopentyl-N-[6-[4-(diethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299725

Frequently Asked Questions

What is the IUPAC name of 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The IUPAC name of 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane (CID 157364425) is 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane.
What is the SMILES notation for 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The canonical SMILES for 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane is CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccn2ccncc12.CC(C)(C)c1cn2ncnc2cn1.CC(C)(C)c1cn2nncc2cn1.CC(C)(C)c1cncc2ncnn12.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1nccn2ncnc12.
What is the InChIKey of 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The InChIKey is BJAAPKCKIKLUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.5C9H12N4.6C2H6/c1-11(2,3)9-4-6-13-7-5-12-8-10(9)13;1-9(2,3)7-5-13-8(4-10-7)11-6-12-13;1-9(2,3)7-4-10-5-8-11-6-12-13(7)8;1-9(2,3)8-6-13-7(4-10-8)5-11-12-13;1-9(2,3)7-8-11-6-12-13(8)5-4-10-7;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;6*1-2/h4-8H,1-3H3;5*4-6H,1-3H3;6*1-2H3.
What are the key properties of 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane has a molecular weight of 1235.78 g/mol, XLogP of 15.90, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butylpyrrolo[1,2-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;6-tert-butyltriazolo[1,5-a]pyrazine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;ethane is sourced from PubChem (CID 157364425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).