bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole

C65H73N33O2S2 — CID 157482186

IUPACbis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole
SMILESC1=CCN=C1.C1=CCN=C1.C1=CN=CC1.C1=CN=CC1.C1=CN=NC1.C1=NCN=C1.C1=NCN=C1.C1=NCN=N1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C5H5N.3C4H4N2.4C4H5N.3C3H3N3.3C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*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;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h1-5H;3*1-4H;2*1,3-4H,2H2;2*1-3H,4H2;3*1-3H;3*1-2H,3H2;4*1-3H;1H,2H2
InChIKeyBWHCMUMLISGERK-UHFFFAOYSA-N
MW1412.66 g/mol
LogP10.57
Rot. Bonds

About bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole

bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole (PubChem CID 157482186) has the molecular formula C65H73N33O2S2 and a molecular weight of 1412.66 g/mol. Its IUPAC name is bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole.

Molecular Properties

Compound Namebis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole
PubChem CID157482186
Molecular FormulaC65H73N33O2S2
Molecular Weight1412.66 g/mol
Exact Mass1411.61
IUPAC Namebis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole
SMILESC1=CCN=C1.C1=CCN=C1.C1=CN=CC1.C1=CN=CC1.C1=CN=NC1.C1=NCN=C1.C1=NCN=C1.C1=NCN=N1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C5H5N.3C4H4N2.4C4H5N.3C3H3N3.3C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*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;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h1-5H;3*1-4H;2*1,3-4H,2H2;2*1-3H,4H2;3*1-3H;3*1-2H,3H2;4*1-3H;1H,2H2
InChIKeyBWHCMUMLISGERK-UHFFFAOYSA-N
XLogP10.57
TPSA444.76 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.66
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole with MolForge

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Related Compounds

2,2-Dimethylpropane;ethane;nonakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;thiadiazole;1,2-thiazole
CID 157105346
CID 157190076
CID 157190076
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
1,3-Dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;methane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium
CID 157326610
benzene;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157340385
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
cyclopenta-1,3-diene;furan;bis(1,2-oxazole);1,3-oxazole;3H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157375052
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
1,3-Dimethylimidazol-1-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethyl-1,3,5-triazin-1-ium;1,4-dimethyl-1,2,4-triazol-4-ium;ethane;2-methyl-1,2-oxazol-2-ium;3-methyl-1,3-oxazol-3-ium;1-methylpyrazin-1-ium;bis(1-methylpyridazin-1-ium);1-methylpyridin-1-ium;1-methylpyrimidin-1-ium;2-methyl-1,2-thiazol-2-ium;3-methyl-1,3-thiazol-3-ium;1-methyl-1,3,5-triazin-1-ium
CID 157415543
1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157483820
cyclopenta-1,3-diene;furan;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-oxidopyridin-1-ium;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole 1-oxide;thiophene;thiophene 1-oxide;1,2,4-triazine;1,3,5-triazine;4H-triazole
CID 157512821
Benzene;1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
CID 157526049

Frequently Asked Questions

What is the IUPAC name of bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole?
The IUPAC name of bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole (CID 157482186) is bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole.
What is the SMILES notation for bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole?
The canonical SMILES for bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole is C1=CCN=C1.C1=CCN=C1.C1=CN=CC1.C1=CN=CC1.C1=CN=NC1.C1=NCN=C1.C1=NCN=C1.C1=NCN=N1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1.
What is the InChIKey of bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole?
The InChIKey is BWHCMUMLISGERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.4C4H5N.3C3H3N3.3C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*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;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h1-5H;3*1-4H;2*1,3-4H,2H2;2*1-3H,4H2;3*1-3H;3*1-2H,3H2;4*1-3H;1H,2H2.
What are the key properties of bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole?
bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole has a molecular weight of 1412.66 g/mol, XLogP of 10.57, 0 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole is sourced from PubChem (CID 157482186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).