cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

C67H120N24 — CID 161254400

IUPACcyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESC1=CCC=C1.C1=CCN=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1nc[nH]n1.c1ncncn1
InChIInChI=1S/C5H5N.C5H6.3C4H4N2.2C4H5N.3C3H3N3.2C2H3N3.12C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;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;1-2-4-6-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;12*1-2/h1-5H;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-3H,4H2;3*1-3H;2*1-2H,(H,3,4,5);12*1-2H3
InChIKeyVBRYSMKCLOALTE-UHFFFAOYSA-N
MW1261.86 g/mol
LogP17.15
Rot. Bonds

About cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole

cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (PubChem CID 161254400) has the molecular formula C67H120N24 and a molecular weight of 1261.86 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
PubChem CID161254400
Molecular FormulaC67H120N24
Molecular Weight1261.86 g/mol
Exact Mass1261.01
IUPAC Namecyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
SMILESC1=CCC=C1.C1=CCN=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1nc[nH]n1.c1ncncn1
InChIInChI=1S/C5H5N.C5H6.3C4H4N2.2C4H5N.3C3H3N3.2C2H3N3.12C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;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;1-2-4-6-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;12*1-2/h1-5H;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-3H,4H2;3*1-3H;2*1-2H,(H,3,4,5);12*1-2H3
InChIKeyVBRYSMKCLOALTE-UHFFFAOYSA-N
XLogP17.15
TPSA314.10 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001261.86
LogP ≤ 517.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopenta-1,3-diene;ethane;3H-indazole;1H-indene;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinoline;quinoxaline;2H-triazole
CID 157381332
bis(cyclopenta-1,3-diene);bis(2H-pyrrole);3H-pyrrole
CID 160999980
benzene;ethane;1H-imidazole;2H-imidazole;decakis(2-methylpropane);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1H-1,2,4-triazole
CID 159596098
4H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine
CID 165053975
benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
CID 160967771
benzene;ethane;1H-imidazole;dodecakis(2-methylpropane);1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine;1H-1,2,4-triazole;2H-triazole
CID 160781897
methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole
CID 165045703
triazine;1H-1,2,4-triazole
CID 67486558
benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine
CID 157104193
benzene;1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;cyclopenta-1,3-diene;5,7-dihydro-4H-purine;furan;4H-imidazole;1H-indazole;bis(2H-indene);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 158674829
ethane;pyrazine;pyridazine;pyridine;pyrimidine
CID 159887592
pyridine;1,2,4-triazine
CID 142352518

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole (CID 161254400) is cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1nc[nH]n1.c1ncncn1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
The InChIKey is VBRYSMKCLOALTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H6.3C4H4N2.2C4H5N.3C3H3N3.2C2H3N3.12C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;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;1-2-4-6-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;12*1-2/h1-5H;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-3H,4H2;3*1-3H;2*1-2H,(H,3,4,5);12*1-2H3.
What are the key properties of cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole?
cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole has a molecular weight of 1261.86 g/mol, XLogP of 17.15, 0 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;triazine;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 161254400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).