tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole

C72H149N15O2 — CID 162173568

IUPACtris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole
SMILESC1CCNCC1.C1CCOCC1.C1COCCN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cncnc1.c1nc[nH]n1
InChIInChI=1S/C5H11N.C5H5N.C5H10O.3C5H12.C4H4N2.C4H9NO.6C4H10.2C3H4N2.2C2H3N3/c3*1-2-4-6-5-3-1;3*1-5(2,3)4;1-2-5-4-6-3-1;1-3-6-4-2-5-1;6*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h6H,1-5H2;1-5H;1-5H2;3*1-4H3;1-4H;5H,1-4H2;6*4H,1-3H3;2*1-3H,(H,4,5);2*1-2H,(H,3,4,5)
InChIKeyZOCHMWAIMCTGFP-UHFFFAOYSA-N
MW1257.09 g/mol
LogP19.67
Rot. Bonds

About tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole

tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole (PubChem CID 162173568) has the molecular formula C72H149N15O2 and a molecular weight of 1257.09 g/mol. Its IUPAC name is tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Nametris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole
PubChem CID162173568
Molecular FormulaC72H149N15O2
Molecular Weight1257.09 g/mol
Exact Mass1256.20
IUPAC Nametris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole
SMILESC1CCNCC1.C1CCOCC1.C1COCCN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cncnc1.c1nc[nH]n1
InChIInChI=1S/C5H11N.C5H5N.C5H10O.3C5H12.C4H4N2.C4H9NO.6C4H10.2C3H4N2.2C2H3N3/c3*1-2-4-6-5-3-1;3*1-5(2,3)4;1-2-5-4-6-3-1;1-3-6-4-2-5-1;6*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h6H,1-5H2;1-5H;1-5H2;3*1-4H3;1-4H;5H,1-4H2;6*4H,1-3H3;2*1-3H,(H,4,5);2*1-2H,(H,3,4,5)
InChIKeyZOCHMWAIMCTGFP-UHFFFAOYSA-N
XLogP19.67
TPSA221.69 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001257.09
LogP ≤ 519.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole (CID 162173568) is tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole is C1CCNCC1.C1CCOCC1.C1COCCN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cncnc1.c1nc[nH]n1.
What is the InChIKey of tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole?
The InChIKey is ZOCHMWAIMCTGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H5N.C5H10O.3C5H12.C4H4N2.C4H9NO.6C4H10.2C3H4N2.2C2H3N3/c3*1-2-4-6-5-3-1;3*1-5(2,3)4;1-2-5-4-6-3-1;1-3-6-4-2-5-1;6*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h6H,1-5H2;1-5H;1-5H2;3*1-4H3;1-4H;5H,1-4H2;6*4H,1-3H3;2*1-3H,(H,4,5);2*1-2H,(H,3,4,5).
What are the key properties of tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole?
tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole has a molecular weight of 1257.09 g/mol, XLogP of 19.67, 0 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2-dimethylpropane);1H-imidazole;hexakis(2-methylpropane);morpholine;oxane;piperidine;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 162173568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).