ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine

C52H102N8O — CID 158378466

IUPACethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine
SMILESCC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cn[nH]c1.c1cnoc1
InChIInChI=1S/C6H5N3.2C5H5N.5C4H10.C3H4N2.C3H3NO.5C2H6/c1-2-4-9-6(3-1)7-5-8-9;2*1-2-4-6-5-3-1;5*1-4(2)3;2*1-2-4-5-3-1;5*1-2/h1-5H;2*1-5H;5*4H,1-3H3;1-3H,(H,4,5);1-3H;5*1-2H3
InChIKeyGVMLMRPKUUJKEY-UHFFFAOYSA-N
MW855.44 g/mol
LogP17.42
Rot. Bonds

About ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine

ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158378466) has the molecular formula C52H102N8O and a molecular weight of 855.44 g/mol. Its IUPAC name is ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158378466
Molecular FormulaC52H102N8O
Molecular Weight855.44 g/mol
Exact Mass854.82
IUPAC Nameethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine
SMILESCC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cn[nH]c1.c1cnoc1
InChIInChI=1S/C6H5N3.2C5H5N.5C4H10.C3H4N2.C3H3NO.5C2H6/c1-2-4-9-6(3-1)7-5-8-9;2*1-2-4-6-5-3-1;5*1-4(2)3;2*1-2-4-5-3-1;5*1-2/h1-5H;2*1-5H;5*4H,1-3H3;1-3H,(H,4,5);1-3H;5*1-2H3
InChIKeyGVMLMRPKUUJKEY-UHFFFAOYSA-N
XLogP17.42
TPSA110.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.44
LogP ≤ 517.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine 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

N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 67535071
benzene;ethane;1H-imidazole;undecakis(2-methylpropane);1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1H-1,2,4-triazole;2H-triazole
CID 158073654
1-(1,2-oxazol-3-yl)-3-propan-2-ylurea;1-propan-2-yl-3-pyridin-3-ylurea;1-propan-2-yl-3-(pyrimidin-2-ylmethyl)urea;1-propan-2-yl-3-(2H-pyrrol-5-ylmethyl)urea;1-propan-2-yl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 158452672
1H-imidazole;1,2,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine
CID 158837541
benzene;ethane;1H-imidazole;octakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 159652003
tridecakis(2-methylpropane);1,2-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2-thiazole
CID 160221749
cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine
CID 161275811
1,3-Dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine
CID 161492204
1H-imidazole;1,2-oxazole;1H-pyrazole;pyridine;1H-1,2,4-triazole
CID 161574184

Frequently Asked Questions

What is the IUPAC name of ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine (CID 158378466) is ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine is CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cn[nH]c1.c1cnoc1.
What is the InChIKey of ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GVMLMRPKUUJKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.2C5H5N.5C4H10.C3H4N2.C3H3NO.5C2H6/c1-2-4-9-6(3-1)7-5-8-9;2*1-2-4-6-5-3-1;5*1-4(2)3;2*1-2-4-5-3-1;5*1-2/h1-5H;2*1-5H;5*4H,1-3H3;1-3H,(H,4,5);1-3H;5*1-2H3.
What are the key properties of ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine?
ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 855.44 g/mol, XLogP of 17.42, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158378466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).