hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole

C60H125N23O3S — CID 158562104

IUPAChexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1nc[nH]n1.c1nn[nH]n1.c1nn[nH]n1.c1nnon1
InChIInChI=1S/6C5H12.3C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H3N3.C2H2N2O.2CH2N4.CHN3O/c6*1-5(2,3)4;3*1-4(2)3;3*1-2-4-5-3-1;1-3-2-5-4-1;5*1-2-4-5-3-1/h6*1-4H3;3*4H,1-3H3;1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);1-2H;2*1H,(H,2,3,4,5);1H
InChIKeyHQZXYJOSUFVJNQ-UHFFFAOYSA-N
MW1248.88 g/mol
LogP17.07
Rot. Bonds

About hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole

hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 158562104) has the molecular formula C60H125N23O3S and a molecular weight of 1248.88 g/mol. Its IUPAC name is hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Namehexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
PubChem CID158562104
Molecular FormulaC60H125N23O3S
Molecular Weight1248.88 g/mol
Exact Mass1248.01
IUPAC Namehexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1nc[nH]n1.c1nn[nH]n1.c1nn[nH]n1.c1nnon1
InChIInChI=1S/6C5H12.3C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H3N3.C2H2N2O.2CH2N4.CHN3O/c6*1-5(2,3)4;3*1-4(2)3;3*1-2-4-5-3-1;1-3-2-5-4-1;5*1-2-4-5-3-1/h6*1-4H3;3*4H,1-3H3;1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);1-2H;2*1H,(H,2,3,4,5);1H
InChIKeyHQZXYJOSUFVJNQ-UHFFFAOYSA-N
XLogP17.07
TPSA350.39 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.88
LogP ≤ 517.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole with MolForge

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Related Compounds

nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157269807
octakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157926665
octakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole
CID 158147826
nonakis(2,2-dimethylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
CID 159079419
ethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1H-1,2,4-triazole;bis(2H-triazole)
CID 160953959
ethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;1,3,4-thiadiazole;1,2-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 161555011
1,2-oxazole;1H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
CID 161930250
1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole
CID 165021600

Frequently Asked Questions

What is the IUPAC name of hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole (CID 158562104) is hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1nc[nH]n1.c1nn[nH]n1.c1nn[nH]n1.c1nnon1.
What is the InChIKey of hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole?
The InChIKey is HQZXYJOSUFVJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H12.3C4H10.C3H4N2.C3H3NO.C3H3NS.2C2H3N3.C2H2N2O.2CH2N4.CHN3O/c6*1-5(2,3)4;3*1-4(2)3;3*1-2-4-5-3-1;1-3-2-5-4-1;5*1-2-4-5-3-1/h6*1-4H3;3*4H,1-3H3;1-3H,(H,4,5);2*1-3H;2*1-2H,(H,3,4,5);1-2H;2*1H,(H,2,3,4,5);1H.
What are the key properties of hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole?
hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 1248.88 g/mol, XLogP of 17.07, 0 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158562104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).