nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine

C71H135N27O6S3 — CID 159442498

IUPACnonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cnsn1.CC(C)c1nnno1.CC(C)c1nnns1.c1ccnnc1.c1cn[nH]c1.c1cnnnc1.c1cnoc1.c1cnon1.c1cocn1.c1conn1.c1nnon1.c1nnsn1
InChIInChI=1S/C5H8N2S.C4H7N3O.C4H7N3S.C4H4N2.9C4H10.C3H3N3.C3H4N2.2C3H3NO.2C2H2N2O.CHN3O.CHN3S/c1-4(2)5-3-6-8-7-5;2*1-3(2)4-5-6-7-8-4;1-2-4-6-5-3-1;9*1-4(2)3;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1;3*1-2-4-5-3-1/h3-4H,1-2H3;2*3H,1-2H3;1-4H;9*4H,1-3H3;1-3H;1-3H,(H,4,5);2*1-3H;2*1-2H;2*1H
InChIKeyLSIPWVBBCQSUIR-UHFFFAOYSA-N
MW1559.24 g/mol
LogP19.91
Rot. Bonds3

About nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine

nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine (PubChem CID 159442498) has the molecular formula C71H135N27O6S3 and a molecular weight of 1559.24 g/mol. Its IUPAC name is nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine.

Molecular Properties

Compound Namenonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine
PubChem CID159442498
Molecular FormulaC71H135N27O6S3
Molecular Weight1559.24 g/mol
Exact Mass1558.03
IUPAC Namenonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cnsn1.CC(C)c1nnno1.CC(C)c1nnns1.c1ccnnc1.c1cn[nH]c1.c1cnnnc1.c1cnoc1.c1cnon1.c1cocn1.c1conn1.c1nnon1.c1nnsn1
InChIInChI=1S/C5H8N2S.C4H7N3O.C4H7N3S.C4H4N2.9C4H10.C3H3N3.C3H4N2.2C3H3NO.2C2H2N2O.CHN3O.CHN3S/c1-4(2)5-3-6-8-7-5;2*1-3(2)4-5-6-7-8-4;1-2-4-6-5-3-1;9*1-4(2)3;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1;3*1-2-4-5-3-1/h3-4H,1-2H3;2*3H,1-2H3;1-4H;9*4H,1-3H3;1-3H;1-3H,(H,4,5);2*1-3H;2*1-2H;2*1H
InChIKeyLSIPWVBBCQSUIR-UHFFFAOYSA-N
XLogP19.91
TPSA429.77 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds3
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001559.24
LogP ≤ 519.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine?
The IUPAC name of nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine (CID 159442498) is nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine.
What is the SMILES notation for nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine?
The canonical SMILES for nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cnsn1.CC(C)c1nnno1.CC(C)c1nnns1.c1ccnnc1.c1cn[nH]c1.c1cnnnc1.c1cnoc1.c1cnon1.c1cocn1.c1conn1.c1nnon1.c1nnsn1.
What is the InChIKey of nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine?
The InChIKey is LSIPWVBBCQSUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.C4H7N3O.C4H7N3S.C4H4N2.9C4H10.C3H3N3.C3H4N2.2C3H3NO.2C2H2N2O.CHN3O.CHN3S/c1-4(2)5-3-6-8-7-5;2*1-3(2)4-5-6-7-8-4;1-2-4-6-5-3-1;9*1-4(2)3;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1;3*1-2-4-5-3-1/h3-4H,1-2H3;2*3H,1-2H3;1-4H;9*4H,1-3H3;1-3H;1-3H,(H,4,5);2*1-3H;2*1-2H;2*1H.
What are the key properties of nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine?
nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine has a molecular weight of 1559.24 g/mol, XLogP of 19.91, 3 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;pyridazine;1,2,3,5-thiatriazole;triazine is sourced from PubChem (CID 159442498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).