cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole

C74H133N23O3S3 — CID 157386897

IUPACcyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
SMILESC1=CCC=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cnncn1.c1conn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nnco1.c1nncs1
InChIInChI=1S/C5H5N.C5H6.2C4H4N2.C4H5N.C4H4O.2C3H3N3.2C3H3NS.C2H3N3.2C2H2N2O.C2H2N2S.14C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-5-4-3-1;1-3-4-2-5-1;14*1-2/h1-5H;1-4H,5H2;2*1-4H;1,3-4H,2H2;1-4H;2*1-3H;2*1-3H;1-2H,(H,3,4,5);3*1-2H;14*1-2H3
InChIKeyBLNSJVGGAKGVRE-UHFFFAOYSA-N
MW1489.24 g/mol
LogP22.67
Rot. Bonds

About cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole

cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole (PubChem CID 157386897) has the molecular formula C74H133N23O3S3 and a molecular weight of 1489.24 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
PubChem CID157386897
Molecular FormulaC74H133N23O3S3
Molecular Weight1489.24 g/mol
Exact Mass1488.01
IUPAC Namecyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
SMILESC1=CCC=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cnncn1.c1conn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nnco1.c1nncs1
InChIInChI=1S/C5H5N.C5H6.2C4H4N2.C4H5N.C4H4O.2C3H3N3.2C3H3NS.C2H3N3.2C2H2N2O.C2H2N2S.14C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-5-4-3-1;1-3-4-2-5-1;14*1-2/h1-5H;1-4H,5H2;2*1-4H;1,3-4H,2H2;1-4H;2*1-3H;2*1-3H;1-2H,(H,3,4,5);3*1-2H;14*1-2H3
InChIKeyBLNSJVGGAKGVRE-UHFFFAOYSA-N
XLogP22.67
TPSA338.26 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001489.24
LogP ≤ 522.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole with MolForge

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Related Compounds

ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
furan;1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157126387
benzene;cyclopenta-1,3-diene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyran;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157131955
benzene;furan;1H-imidazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene;1,3,5-triazine
CID 157132512
2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157148408
furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
CID 157252556
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 157269205
benzene;cyclohexa-2,4-dien-1-one;furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157277637
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 157348433
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole
CID 157390136
benzene;furan;1H-imidazole;1-oxidopyridin-1-ium;pyridine;1H-pyrrole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157408024
azetidine;benzene;bicyclo[1.1.1]pentane;cyclobutane;cyclohexane;cyclopropane;1,4-dioxane;furan;1H-imidazole;2-methylidenepyrrolidine;morpholine;oxane;1,3-oxazole;oxetane;oxolane;piperazine;piperidine;pyrazine;1H-pyrazole;pyridazine;1H-pyridazin-6-one;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;pyrrolidine;1,3-thiazole;thiolane;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
CID 157497122

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole?
The IUPAC name of cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole (CID 157386897) is cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole?
The canonical SMILES for cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole is C1=CCC=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cnncn1.c1conn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nnco1.c1nncs1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole?
The InChIKey is BLNSJVGGAKGVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H6.2C4H4N2.C4H5N.C4H4O.2C3H3N3.2C3H3NS.C2H3N3.2C2H2N2O.C2H2N2S.14C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-5-4-3-1;1-3-4-2-5-1;14*1-2/h1-5H;1-4H,5H2;2*1-4H;1,3-4H,2H2;1-4H;2*1-3H;2*1-3H;1-2H,(H,3,4,5);3*1-2H;14*1-2H3.
What are the key properties of cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole?
cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole has a molecular weight of 1489.24 g/mol, XLogP of 22.67, 0 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;furan;oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;3H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole is sourced from PubChem (CID 157386897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).