2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole

C39H67N17 — CID 157146902

IUPAC2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1
InChIInChI=1S/4C6H10N2.3C5H9N3/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;2*1-4(2)5-3-6-8-7-5/h4*3-5H,1-2H3,(H,7,8);3*3-4H,1-2H3,(H,6,7,8)
InChIKeyAKUQTANDVZYNIY-UHFFFAOYSA-N
MW774.08 g/mol
LogP8.92
Rot. Bonds7

About 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 157146902) has the molecular formula C39H67N17 and a molecular weight of 774.08 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole
PubChem CID157146902
Molecular FormulaC39H67N17
Molecular Weight774.08 g/mol
Exact Mass773.58
IUPAC Name2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1
InChIInChI=1S/4C6H10N2.3C5H9N3/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;2*1-4(2)5-3-6-8-7-5/h4*3-5H,1-2H3,(H,7,8);3*3-4H,1-2H3,(H,6,7,8)
InChIKeyAKUQTANDVZYNIY-UHFFFAOYSA-N
XLogP8.92
TPSA239.43 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.08
LogP ≤ 58.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

1,4-dimethylpyrazole;1,5-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2-ethyl-1-methylimidazole;4-methyl-1H-pyrazole;1-methylpyrrole;4-methyl-5-(trifluoromethyl)-1H-pyrazole;3,4,5-trimethyl-1H-pyrazole
CID 160303902
3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-1-ethyl-5-methylpyrazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyltriazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole
CID 162107385
2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165008652
2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165099595
2-[5-(1H-imidazol-5-yl)-2,5-dimethylhexan-2-yl]-5-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazole
CID 132171379
4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole
CID 136654897
2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole
CID 139573863
2-(2,3-dihydropyrrol-1-yl)-5-imidazolidin-1-yl-1-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-4-(1H-pyrazol-5-yl)-3-pyrrolidin-1-ylpyrazole
CID 141102979
2-[1-(4,5-dihydroimidazol-1-yl)-2-(1,3-dihydropyrazol-2-yl)-3-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-1H-imidazole
CID 141190758
4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole
CID 141196391
2-imidazol-1-yl-3-(1H-imidazol-2-yl)-1-(1H-imidazol-5-yl)-5-pyrazol-1-yl-3-(1H-pyrazol-4-yl)-4-(1H-pyrazol-5-yl)pyrazole
CID 141281799
5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole
CID 141299633

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole (CID 157146902) is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is AKUQTANDVZYNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H10N2.3C5H9N3/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;2*1-4(2)5-3-6-8-7-5/h4*3-5H,1-2H3,(H,7,8);3*3-4H,1-2H3,(H,6,7,8).
What are the key properties of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole?
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 774.08 g/mol, XLogP of 8.92, 7 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 157146902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).