1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole

C110H186N32O6S3 — CID 158540285

IUPAC1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)OCO2.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C8H7N.C7H6N2.C7H6O2.C5H5N.3C4H4N2.C4H4O.C4H4S.2C3H3N3.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.C2H2N2O.C2H2N2S.19C2H6.CH2N4/c1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-3-4-2-5-1;19*1-2;1-2-4-5-3-1/h1-6,9H;1-5H,(H,8,9);1-4H,5H2;1-5H;3*1-4H;2*1-4H;2*1-3H;1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);2*1-2H;19*1-2H3;1H,(H,2,3,4,5)
InChIKeyHOKXXFPKNXNVHD-UHFFFAOYSA-N
MW2149.12 g/mol
LogP32.44
Rot. Bonds

About 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole

1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole (PubChem CID 158540285) has the molecular formula C110H186N32O6S3 and a molecular weight of 2149.12 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
PubChem CID158540285
Molecular FormulaC110H186N32O6S3
Molecular Weight2149.12 g/mol
Exact Mass2147.44
IUPAC Name1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)OCO2.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C8H7N.C7H6N2.C7H6O2.C5H5N.3C4H4N2.C4H4O.C4H4S.2C3H3N3.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.C2H2N2O.C2H2N2S.19C2H6.CH2N4/c1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-3-4-2-5-1;19*1-2;1-2-4-5-3-1/h1-6,9H;1-5H,(H,8,9);1-4H,5H2;1-5H;3*1-4H;2*1-4H;2*1-3H;1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);2*1-2H;19*1-2H3;1H,(H,2,3,4,5)
InChIKeyHOKXXFPKNXNVHD-UHFFFAOYSA-N
XLogP32.44
TPSA498.00 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002149.12
LogP ≤ 532.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole?
The IUPAC name of 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole (CID 158540285) is 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole.
What is the SMILES notation for 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole?
The canonical SMILES for 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)OCO2.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole?
The InChIKey is HOKXXFPKNXNVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H6N2.C7H6O2.C5H5N.3C4H4N2.C4H4O.C4H4S.2C3H3N3.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.C2H2N2O.C2H2N2S.19C2H6.CH2N4/c1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-3-4-2-5-1;19*1-2;1-2-4-5-3-1/h1-6,9H;1-5H,(H,8,9);1-4H,5H2;1-5H;3*1-4H;2*1-4H;2*1-3H;1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);2*1-2H;19*1-2H3;1H,(H,2,3,4,5).
What are the key properties of 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole?
1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole has a molecular weight of 2149.12 g/mol, XLogP of 32.44, 0 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole is sourced from PubChem (CID 158540285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).