methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole

C90H176N12OS — CID 159745651

IUPACmethane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
SMILESC.C.C.C.C.C.CC(C)c1cn(C(C)C)cc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1nc(C(C)C)c(C(C)C)[nH]1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nn(C(C)C)nc1C(C)C
InChIInChI=1S/C13H23N.3C12H22N2.C12H21NO.C12H21NS.C11H21N3.6CH4/c1-9(2)12-7-14(11(5)6)8-13(12)10(3)4;2*1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;3*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;1-7(2)10-11(8(3)4)13-14(12-10)9(5)6;;;;;;/h7-11H,1-6H3;2*7-10H,1-6H3;7-9H,1-6H3,(H,13,14);3*7-9H,1-6H3;6*1H4
InChIKeyNCZYAGRLUIYOGH-UHFFFAOYSA-N
MW1474.55 g/mol
LogP31.00
Rot. Bonds21

About methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole

methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole (PubChem CID 159745651) has the molecular formula C90H176N12OS and a molecular weight of 1474.55 g/mol. Its IUPAC name is methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole.

Molecular Properties

Compound Namemethane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
PubChem CID159745651
Molecular FormulaC90H176N12OS
Molecular Weight1474.55 g/mol
Exact Mass1473.38
IUPAC Namemethane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
SMILESC.C.C.C.C.C.CC(C)c1cn(C(C)C)cc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1nc(C(C)C)c(C(C)C)[nH]1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nn(C(C)C)nc1C(C)C
InChIInChI=1S/C13H23N.3C12H22N2.C12H21NO.C12H21NS.C11H21N3.6CH4/c1-9(2)12-7-14(11(5)6)8-13(12)10(3)4;2*1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;3*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;1-7(2)10-11(8(3)4)13-14(12-10)9(5)6;;;;;;/h7-11H,1-6H3;2*7-10H,1-6H3;7-9H,1-6H3,(H,13,14);3*7-9H,1-6H3;6*1H4
InChIKeyNCZYAGRLUIYOGH-UHFFFAOYSA-N
XLogP31.00
TPSA138.88 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001474.55
LogP ≤ 531.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole with MolForge

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Related Compounds

methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)
CID 157493914
1,2,3,4,5-Pentamethylpyrrole;tris(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 157558308
2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)
CID 157746771
1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane
CID 158043964
Ethane;bis(3,6,6,7,7-pentamethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);3,6,6,7,7-pentamethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene;6,6,7,7-tetramethyl-2,3-diazabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,6,7,7-tetramethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene)
CID 158233351
1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium
CID 158258833
1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole
CID 158389756
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole
CID 158429944
1-(fluoromethyl)-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;3-methyl-1-propan-2-ylpyrazol-4-amine;5-methyl-1-propan-2-ylpyrazol-4-amine;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazol-4-amine;1-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;2-propan-2-yltriazole
CID 158838231
2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
CID 158974364
2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
CID 159406312
ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 159699079

Frequently Asked Questions

What is the IUPAC name of methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole?
The IUPAC name of methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole (CID 159745651) is methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole.
What is the SMILES notation for methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole?
The canonical SMILES for methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole is C.C.C.C.C.C.CC(C)c1cn(C(C)C)cc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1nc(C(C)C)c(C(C)C)[nH]1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nn(C(C)C)nc1C(C)C.
What is the InChIKey of methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole?
The InChIKey is NCZYAGRLUIYOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.3C12H22N2.C12H21NO.C12H21NS.C11H21N3.6CH4/c1-9(2)12-7-14(11(5)6)8-13(12)10(3)4;2*1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;3*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;1-7(2)10-11(8(3)4)13-14(12-10)9(5)6;;;;;;/h7-11H,1-6H3;2*7-10H,1-6H3;7-9H,1-6H3,(H,13,14);3*7-9H,1-6H3;6*1H4.
What are the key properties of methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole?
methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole has a molecular weight of 1474.55 g/mol, XLogP of 31.00, 21 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole is sourced from PubChem (CID 159745651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).