3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole

C64H122N14OS — CID 158959093

IUPAC3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1cccs1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C8H12S.C7H13N3.C7H10O.C6H11N3.4C6H10N2.6C2H6/c1-8(2,3)7-5-4-6-9-7;1-5-8-6(10-9-5)7(2,3)4;1-6(2)7-4-3-5-8-7;1-4(2)6-5(3)7-9-8-6;1-5(2)6-3-7-4-8-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;6*1-2/h4-6H,1-3H3;1-4H3,(H,8,9,10);3-6H,1-2H3;4H,1-3H3,(H,7,8,9);3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);6*1-2H3
InChIKeyJMJSPRBHWHBBPV-UHFFFAOYSA-N
MW1135.84 g/mol
LogP20.32
Rot. Bonds6

About 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole

3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole (PubChem CID 158959093) has the molecular formula C64H122N14OS and a molecular weight of 1135.84 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole
PubChem CID158959093
Molecular FormulaC64H122N14OS
Molecular Weight1135.84 g/mol
Exact Mass1134.96
IUPAC Name3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1cccs1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C8H12S.C7H13N3.C7H10O.C6H11N3.4C6H10N2.6C2H6/c1-8(2,3)7-5-4-6-9-7;1-5-8-6(10-9-5)7(2,3)4;1-6(2)7-4-3-5-8-7;1-4(2)6-5(3)7-9-8-6;1-5(2)6-3-7-4-8-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;6*1-2/h4-6H,1-3H3;1-4H3,(H,8,9,10);3-6H,1-2H3;4H,1-3H3,(H,7,8,9);3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);6*1-2H3
InChIKeyJMJSPRBHWHBBPV-UHFFFAOYSA-N
XLogP20.32
TPSA200.14 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.84
LogP ≤ 520.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole with MolForge

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Related Compounds

2-hydroxy-4-methylidene-3-propan-2-ylcyclobut-2-en-1-one;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole;1,1,1-trifluoro-3-methylbutan-2-ol
CID 161555264
1-tert-butyl-4-ethylpyrazole;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);4-tert-butyl-1-methylpyrazole;1-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-methyltriazole;2-tert-butyl-4-methyltriazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(1-tert-butylpyrazole);4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;4-tert-butylpyrimidine;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole
CID 168404439
4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
CID 141002534
5-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-(1H-1,2,4-triazol-5-yl)-5-(2H-triazol-4-yl)thiophen-3-yl]-2H-tetrazole
CID 141040224
3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141048956
2-[5-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiophen-3-yl]pyrimidine
CID 141068317
4-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-1,1-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-1-yl]oxadiazole
CID 141071378
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole
CID 141072642
2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole
CID 141126487
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole
CID 141145252
6-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
CID 141151562
3-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(thiadiazol-4-yl)thiophen-1-yl]-1,2,5-thiadiazole
CID 141181900

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole?
The IUPAC name of 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole (CID 158959093) is 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole is CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccs1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)(C)C)n[nH]1.
What is the InChIKey of 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole?
The InChIKey is JMJSPRBHWHBBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.C7H13N3.C7H10O.C6H11N3.4C6H10N2.6C2H6/c1-8(2,3)7-5-4-6-9-7;1-5-8-6(10-9-5)7(2,3)4;1-6(2)7-4-3-5-8-7;1-4(2)6-5(3)7-9-8-6;1-5(2)6-3-7-4-8-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;6*1-2/h4-6H,1-3H3;1-4H3,(H,8,9,10);3-6H,1-2H3;4H,1-3H3,(H,7,8,9);3-5H,1-2H3,(H,7,8);3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);6*1-2H3.
What are the key properties of 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole?
3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole has a molecular weight of 1135.84 g/mol, XLogP of 20.32, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butylthiophene;ethane;4-methyl-5-propan-2-yl-2H-triazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 158959093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).