cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole

C89H134FN23O — CID 167535763

IUPACcumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole
SMILESC.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnco1.CC(C)c1ncncc1F.CC(C)c1ncncn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.CC(C)n1cnnc1
InChIInChI=1S/C9H12.3C8H11N.C7H9FN2.2C7H10N2.C6H9N3.2C6H10N2.C6H9NO.2C5H9N3.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(8)3-9-4-10-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-8-3-7-4-9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-3-7-4-8-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;/h3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;1H4
InChIKeyANSDOOMDWDGOCL-UHFFFAOYSA-N
MW1561.21 g/mol
LogP22.44
Rot. Bonds13

About cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole

cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole (PubChem CID 167535763) has the molecular formula C89H134FN23O and a molecular weight of 1561.21 g/mol. Its IUPAC name is cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Namecumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole
PubChem CID167535763
Molecular FormulaC89H134FN23O
Molecular Weight1561.21 g/mol
Exact Mass1560.11
IUPAC Namecumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole
SMILESC.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnco1.CC(C)c1ncncc1F.CC(C)c1ncncn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.CC(C)n1cnnc1
InChIInChI=1S/C9H12.3C8H11N.C7H9FN2.2C7H10N2.C6H9N3.2C6H10N2.C6H9NO.2C5H9N3.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(8)3-9-4-10-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-8-3-7-4-9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-3-7-4-8-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;/h3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;1H4
InChIKeyANSDOOMDWDGOCL-UHFFFAOYSA-N
XLogP22.44
TPSA277.77 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms114
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001561.21
LogP ≤ 522.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole?
The IUPAC name of cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole (CID 167535763) is cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole is C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnco1.CC(C)c1ncncc1F.CC(C)c1ncncn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cncn1.CC(C)n1cnnc1.
What is the InChIKey of cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole?
The InChIKey is ANSDOOMDWDGOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.C7H9FN2.2C7H10N2.C6H9N3.2C6H10N2.C6H9NO.2C5H9N3.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(8)3-9-4-10-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)6-8-3-7-4-9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-3-7-4-8-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;/h3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;1H4.
What are the key properties of cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole?
cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole has a molecular weight of 1561.21 g/mol, XLogP of 22.44, 13 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;5-fluoro-4-propan-2-ylpyrimidine;methane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 167535763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).