1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane

C81H151N21OS — CID 159572268

IUPAC1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane
SMILESC.C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnn1C(C)(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C(C)(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnn(C(C)C)n1
InChIInChI=1S/2C10H18N2.C9H16N2S.3C9H16N2.C8H15N3.C8H14N2O.C7H14N4.2CH4/c1-8(2)9-6-12(7-11-9)10(3,4)5;1-8(2)9-6-7-11-12(9)10(3,4)5;1-6(2)7-10-11-8(12-7)9(3,4)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-8-10-11(9-7)6(3)4;;/h2*6-8H,1-5H3;6H,1-5H3;3*5-8H,1-4H3;5-7H,1-4H3;2*5-6H,1-4H3;2*1H4
InChIKeyMHYXSOKADDDBOX-UHFFFAOYSA-N
MW1467.31 g/mol
LogP23.19
Rot. Bonds15

About 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane

1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane (PubChem CID 159572268) has the molecular formula C81H151N21OS and a molecular weight of 1467.31 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane
PubChem CID159572268
Molecular FormulaC81H151N21OS
Molecular Weight1467.31 g/mol
Exact Mass1466.21
IUPAC Name1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane
SMILESC.C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnn1C(C)(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C(C)(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnn(C(C)C)n1
InChIInChI=1S/2C10H18N2.C9H16N2S.3C9H16N2.C8H15N3.C8H14N2O.C7H14N4.2CH4/c1-8(2)9-6-12(7-11-9)10(3,4)5;1-8(2)9-6-7-11-12(9)10(3,4)5;1-6(2)7-10-11-8(12-7)9(3,4)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-8-10-11(9-7)6(3)4;;/h2*6-8H,1-5H3;6H,1-5H3;3*5-8H,1-4H3;5-7H,1-4H3;2*5-6H,1-4H3;2*1H4
InChIKeyMHYXSOKADDDBOX-UHFFFAOYSA-N
XLogP23.19
TPSA228.11 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.31
LogP ≤ 523.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane?
The IUPAC name of 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane (CID 159572268) is 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane is C.C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnn1C(C)(C)C.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C(C)(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)(C)C)s1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnn(C(C)C)n1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane?
The InChIKey is MHYXSOKADDDBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2.C9H16N2S.3C9H16N2.C8H15N3.C8H14N2O.C7H14N4.2CH4/c1-8(2)9-6-12(7-11-9)10(3,4)5;1-8(2)9-6-7-11-12(9)10(3,4)5;1-6(2)7-10-11-8(12-7)9(3,4)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-8-10-11(9-7)6(3)4;;/h2*6-8H,1-5H3;6H,1-5H3;3*5-8H,1-4H3;5-7H,1-4H3;2*5-6H,1-4H3;2*1H4.
What are the key properties of 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane?
1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane has a molecular weight of 1467.31 g/mol, XLogP of 23.19, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylimidazole;1-tert-butyl-5-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)tetrazole;1,4-di(propan-2-yl)triazole;methane is sourced from PubChem (CID 159572268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).