cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole

C143H269N29O5S6 — CID 157364884

About cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole

cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole (PubChem CID 157364884) has the molecular formula C143H269N29O5S6 and a molecular weight of 2667.32 g/mol. Its IUPAC name is cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole.

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole
• PubChem CID: 157364884
• Molecular Formula: C143H269N29O5S6
• Molecular Weight: 2667.32 g/mol
• Exact Mass: 2665.00
• IUPAC Name: cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole
• SMILES: C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NN=CC1.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)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)C.CC(C)C.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]n1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1cscn1.c1csnn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/C5H5N.C5H6.2C4H4N2.2C4H5N.C4H4O.C4H4S.20C4H10.C3H4N2.2C3H3NO.3C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;20*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-5-4-3-1;1-2-4-5-3-1/h1-5H;1-4H,5H2;2*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;20*4H,1-3H3;2-3H,1H2;5*1-3H;1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5)
• InChIKey: BJBIFCUKZSQWBD-UHFFFAOYSA-N
• XLogP: 46.86
• TPSA: 443.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2667.32
LogP ≤ 5	46.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole?

The IUPAC name of cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole (CID 157364884) is cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole.

What is the SMILES notation for cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole?

The canonical SMILES for cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole is C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NN=CC1.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)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)C.CC(C)C.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]n1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1cscn1.c1csnn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1.

What is the InChIKey of cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole?

The InChIKey is BJBIFCUKZSQWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H6.2C4H4N2.2C4H5N.C4H4O.C4H4S.20C4H10.C3H4N2.2C3H3NO.3C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;20*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-5-4-3-1;1-2-4-5-3-1/h1-5H;1-4H,5H2;2*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;20*4H,1-3H3;2-3H,1H2;5*1-3H;1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5).

What are the key properties of cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole?

cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole has a molecular weight of 2667.32 g/mol, XLogP of 46.86, 0 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;furan;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;bis(1,3-thiazole);thiophene;2H-triazole is sourced from PubChem (CID 157364884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).