cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine

C98H182N24O5 — CID 159481759

IUPACcumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1cnccn1.CC(C)c1cnncn1.CC(C)c1cnnnc1.CC(C)c1cnoc1.CC(C)c1conn1.CC(C)c1ncnnn1.CC(C)c1ncon1.CC(C)c1nnon1
InChIInChI=1S/C9H12.C8H11N.2C7H10N2.2C6H9N3.2C6H9NO.C5H8N4.2C5H8N2O.C4H7N3O.12C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-8-9-4-7-6;1-5(2)6-3-7-9-8-4-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-7-9-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-3-8-7-6-5;1-3(2)4-5-7-8-6-4;12*1-2/h3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;2*3-4H,1-2H3;3H,1-2H3;12*1-2H3
InChIKeyLXCANBITIDATJN-UHFFFAOYSA-N
MW1776.70 g/mol
LogP29.48
Rot. Bonds12

About cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine

cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine (PubChem CID 159481759) has the molecular formula C98H182N24O5 and a molecular weight of 1776.70 g/mol. Its IUPAC name is cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Namecumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine
PubChem CID159481759
Molecular FormulaC98H182N24O5
Molecular Weight1776.70 g/mol
Exact Mass1775.47
IUPAC Namecumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1cnccn1.CC(C)c1cnncn1.CC(C)c1cnnnc1.CC(C)c1cnoc1.CC(C)c1conn1.CC(C)c1ncnnn1.CC(C)c1ncon1.CC(C)c1nnon1
InChIInChI=1S/C9H12.C8H11N.2C7H10N2.2C6H9N3.2C6H9NO.C5H8N4.2C5H8N2O.C4H7N3O.12C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-8-9-4-7-6;1-5(2)6-3-7-9-8-4-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-7-9-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-3-8-7-6-5;1-3(2)4-5-7-8-6-4;12*1-2/h3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;2*3-4H,1-2H3;3H,1-2H3;12*1-2H3
InChIKeyLXCANBITIDATJN-UHFFFAOYSA-N
XLogP29.48
TPSA375.06 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.70
LogP ≤ 529.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine?
The IUPAC name of cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine (CID 159481759) is cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine?
The canonical SMILES for cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1cnccn1.CC(C)c1cnncn1.CC(C)c1cnnnc1.CC(C)c1cnoc1.CC(C)c1conn1.CC(C)c1ncnnn1.CC(C)c1ncon1.CC(C)c1nnon1.
What is the InChIKey of cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine?
The InChIKey is LXCANBITIDATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H11N.2C7H10N2.2C6H9N3.2C6H9NO.C5H8N4.2C5H8N2O.C4H7N3O.12C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-8-9-4-7-6;1-5(2)6-3-7-9-8-4-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-7-9-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-3-8-7-6-5;1-3(2)4-5-7-8-6-4;12*1-2/h3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;2*3-4H,1-2H3;3H,1-2H3;12*1-2H3.
What are the key properties of cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine?
cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine has a molecular weight of 1776.70 g/mol, XLogP of 29.48, 12 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 159481759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).