ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)

C64H128N16 — CID 160562574

IUPACethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1
InChIInChI=1S/2C7H11N.4C6H10N2.2C5H9N3.8C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(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;2*1-4(2)5-6-3-7-8-5;8*1-2/h2*3-6,8H,1-2H3;4*3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8);8*1-2H3
InChIKeyQZMXJSHUURVQTK-UHFFFAOYSA-N
MW1121.84 g/mol
LogP20.47
Rot. Bonds8

About ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)

ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole) (PubChem CID 160562574) has the molecular formula C64H128N16 and a molecular weight of 1121.84 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole).

Molecular Properties

Compound Nameethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)
PubChem CID160562574
Molecular FormulaC64H128N16
Molecular Weight1121.84 g/mol
Exact Mass1121.05
IUPAC Nameethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1
InChIInChI=1S/2C7H11N.4C6H10N2.2C5H9N3.8C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(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;2*1-4(2)5-6-3-7-8-5;8*1-2/h2*3-6,8H,1-2H3;4*3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8);8*1-2H3
InChIKeyQZMXJSHUURVQTK-UHFFFAOYSA-N
XLogP20.47
TPSA229.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.84
LogP ≤ 520.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
CID 159202278
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole
CID 162149780
methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole
CID 158288933
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine
CID 165047806
4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;methane;5-propan-2-yl-1H-pyrazole
CID 161348685
methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole
CID 159665118
ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556
cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole
CID 163431706

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The IUPAC name of ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole) (CID 160562574) is ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole).
What is the SMILES notation for ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The canonical SMILES for ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.
What is the InChIKey of ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)?
The InChIKey is QZMXJSHUURVQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.4C6H10N2.2C5H9N3.8C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(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;2*1-4(2)5-6-3-7-8-5;8*1-2/h2*3-6,8H,1-2H3;4*3-5H,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,6,7,8);8*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole)?
ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole) has a molecular weight of 1121.84 g/mol, XLogP of 20.47, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;bis(5-propan-2-yl-1H-1,2,4-triazole) is sourced from PubChem (CID 160562574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).