1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole

C31H37N23O3S3 — CID 158351390

IUPAC1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C4H5N.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.C2H2N2O.C2H2N2S.CH2N4/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-2-4-5-3-1/h1-5H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);2*1-2H;1H,(H,2,3,4,5)
InChIKeyGSIZYSBTIPQRLA-UHFFFAOYSA-N
MW876.00 g/mol
LogP4.89
Rot. Bonds

About 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole

1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 158351390) has the molecular formula C31H37N23O3S3 and a molecular weight of 876.00 g/mol. Its IUPAC name is 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
PubChem CID158351390
Molecular FormulaC31H37N23O3S3
Molecular Weight876.00 g/mol
Exact Mass875.26
IUPAC Name1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C4H5N.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.C2H2N2O.C2H2N2S.CH2N4/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-2-4-5-3-1/h1-5H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);2*1-2H;1H,(H,2,3,4,5)
InChIKeyGSIZYSBTIPQRLA-UHFFFAOYSA-N
XLogP4.89
TPSA353.29 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500876.00
LogP ≤ 54.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole with MolForge

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Related Compounds

ethane;furan;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;2H-triazole
CID 169426511
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
benzene;furan;1H-imidazole;1-methylpyrrole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 158407514
furan;1H-imidazole;oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene
CID 158609169
benzene;1,3-diazinan-2-one;1H-imidazole;imidazolidin-2-one;1,3,4-oxadiazole;1,3-oxazinan-2-one;1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;piperidin-2-one;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidin-2-one;2H-tetrazole;1,3,4-thiadiazole;1,2,5-thiadiazolidine 1,1-dioxide;bis(thiazinane 1,1-dioxide);1,2-thiazole;1,3-thiazole;1,2-thiazolidine 1,1-dioxide;1H-1,2,4-triazole;2H-triazole
CID 160852332
oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole
CID 163732590
furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 158458577
2H-benzotriazole;furan;1H-imidazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;thiophene;triazine;1H-1,2,4-triazole;2H-triazole
CID 157350898
furan;1H-imidazole;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157308323
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 160721528
benzene;furan;1H-imidazole;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
CID 160805940
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

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole (CID 158351390) is 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole is c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nn[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?
The InChIKey is GSIZYSBTIPQRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.C2H2N2O.C2H2N2S.CH2N4/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;2*1-3-4-2-5-1;1-2-4-5-3-1/h1-5H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);2*1-2H;1H,(H,2,3,4,5).
What are the key properties of 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole?
1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 876.00 g/mol, XLogP of 4.89, 0 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158351390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).