1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole

C32H33N27O5S — CID 160584065

IUPAC1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole
SMILESc1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnon1.c1ncncn1.c1ncon1.c1nnco1.c1nncs1.c1nnno1.c1nnon1
InChIInChI=1S/C5H5N.3C4H4N2.C3H3N3.C2H3N3.3C2H2N2O.C2H2N2S.2CHN3O/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;1-4-2-6-3-5-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-3-4-5-1;1-2-4-5-3-1/h1-5H;3*1-4H;1-3H;1-2H,(H,3,4,5);4*1-2H;2*1H
InChIKeyRCDRJLYTOAPVSV-UHFFFAOYSA-N
MW907.87 g/mol
LogP1.86
Rot. Bonds

About 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole

1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole (PubChem CID 160584065) has the molecular formula C32H33N27O5S and a molecular weight of 907.87 g/mol. Its IUPAC name is 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole.

Molecular Properties

Compound Name1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole
PubChem CID160584065
Molecular FormulaC32H33N27O5S
Molecular Weight907.87 g/mol
Exact Mass907.29
IUPAC Name1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole
SMILESc1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnon1.c1ncncn1.c1ncon1.c1nnco1.c1nncs1.c1nnno1.c1nnon1
InChIInChI=1S/C5H5N.3C4H4N2.C3H3N3.C2H3N3.3C2H2N2O.C2H2N2S.2CHN3O/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;1-4-2-6-3-5-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-3-4-5-1;1-2-4-5-3-1/h1-5H;3*1-4H;1-3H;1-2H,(H,3,4,5);4*1-2H;2*1H
InChIKeyRCDRJLYTOAPVSV-UHFFFAOYSA-N
XLogP1.86
TPSA416.63 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.87
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;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

Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole?
The IUPAC name of 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole (CID 160584065) is 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole.
What is the SMILES notation for 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole?
The canonical SMILES for 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole is c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnon1.c1ncncn1.c1ncon1.c1nnco1.c1nncs1.c1nnno1.c1nnon1.
What is the InChIKey of 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole?
The InChIKey is RCDRJLYTOAPVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.C3H3N3.C2H3N3.3C2H2N2O.C2H2N2S.2CHN3O/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;1-4-2-6-3-5-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-3-4-5-1;1-2-4-5-3-1/h1-5H;3*1-4H;1-3H;1-2H,(H,3,4,5);4*1-2H;2*1H.
What are the key properties of 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole?
1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole has a molecular weight of 907.87 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,4-thiadiazole;1,3,5-triazine;2H-triazole is sourced from PubChem (CID 160584065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).