2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)

C36H78N8 — CID 165069349

IUPAC2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)
SMILESCC.CC.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)C.CC(C)C.CC(C)C.Cc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C7H13N3.C7H12N2.C6H11N3.3C4H10.2C2H6/c1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;3*1-4(2)3;2*1-2/h1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);3*4H,1-3H3;2*1-2H3
InChIKeySMOZJZGTFRRODN-UHFFFAOYSA-N
MW623.08 g/mol
LogP11.26
Rot. Bonds

About 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)

2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane) (PubChem CID 165069349) has the molecular formula C36H78N8 and a molecular weight of 623.08 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane).

Molecular Properties

Compound Name2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)
PubChem CID165069349
Molecular FormulaC36H78N8
Molecular Weight623.08 g/mol
Exact Mass622.63
IUPAC Name2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)
SMILESCC.CC.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)C.CC(C)C.CC(C)C.Cc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C7H13N3.C7H12N2.C6H11N3.3C4H10.2C2H6/c1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;3*1-4(2)3;2*1-2/h1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);3*4H,1-3H3;2*1-2H3
InChIKeySMOZJZGTFRRODN-UHFFFAOYSA-N
XLogP11.26
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.08
LogP ≤ 511.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane) with MolForge

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Related Compounds

2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157173149
2-(2-methoxypropan-2-yl)-1H-imidazole
CID 55287404
5-(2,3,3-trimethylbutan-2-yl)-1H-1,2,4-triazole
CID 164943779
5-methyl-3-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazole
CID 79660902
3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide
CID 91132521
2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine
CID 82407018
2-tert-butyl-6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168057
2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propanoic acid
CID 18739550
sodium;2-methyl-1H-imidazole;chloride
CID 174938695
2-(1H-imidazol-2-yl)pentan-2-ol
CID 91811688
(1R)-1-(2,6-dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol
CID 124562129
tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine
CID 165028023

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)?
The IUPAC name of 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane) (CID 165069349) is 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane).
What is the SMILES notation for 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)?
The canonical SMILES for 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane) is CC.CC.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)C.CC(C)C.CC(C)C.Cc1nc(C(C)(C)C)n[nH]1.
What is the InChIKey of 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)?
The InChIKey is SMOZJZGTFRRODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C7H12N2.C6H11N3.3C4H10.2C2H6/c1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;3*1-4(2)3;2*1-2/h1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);3*4H,1-3H3;2*1-2H3.
What are the key properties of 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane)?
2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane) has a molecular weight of 623.08 g/mol, XLogP of 11.26, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-imidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;tris(2-methylpropane) is sourced from PubChem (CID 165069349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).