1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine

C108H92N32O2S — CID 158443927

IUPAC1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine
SMILESc1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)oc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1ncc2[nH]cnc2n1.c1ncncn1.c1nncnn1
InChIInChI=1S/C12H8O.C9H7N.3C8H7N.C8H6O.C8H6S.2C7H6N2.C5H4N4.C5H5N.3C4H4N2.3C3H3N3.C2H2N4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-4-5(8-2-6-1)9-3-7-4;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;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-3-5-2-6-4-1/h1-8H;1-7H;1-7H;2*1-6,9H;2*1-6H;2*1-5H,(H,8,9);1-3H,(H,6,7,8,9);1-5H;3*1-4H;3*1-3H;1-2H
InChIKeyHDDQIOYVPLKRIH-UHFFFAOYSA-N
MW1902.21 g/mol
LogP22.30
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine

1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine (PubChem CID 158443927) has the molecular formula C108H92N32O2S and a molecular weight of 1902.21 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine
PubChem CID158443927
Molecular FormulaC108H92N32O2S
Molecular Weight1902.21 g/mol
Exact Mass1900.78
IUPAC Name1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine
SMILESc1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)oc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1ncc2[nH]cnc2n1.c1ncncn1.c1nncnn1
InChIInChI=1S/C12H8O.C9H7N.3C8H7N.C8H6O.C8H6S.2C7H6N2.C5H4N4.C5H5N.3C4H4N2.3C3H3N3.C2H2N4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-4-5(8-2-6-1)9-3-7-4;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;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-3-5-2-6-4-1/h1-8H;1-7H;1-7H;2*1-6,9H;2*1-6H;2*1-5H,(H,8,9);1-3H,(H,6,7,8,9);1-5H;3*1-4H;3*1-3H;1-2H
InChIKeyHDDQIOYVPLKRIH-UHFFFAOYSA-N
XLogP22.30
TPSA444.78 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001902.21
LogP ≤ 522.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 157634317
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 158576601
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158732130
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;6-[(1-tert-butylcyclopropyl)methyl]quinoxaline;2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline
CID 158836849
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 159123278
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 159218631
CID 159320113
CID 159320113
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 159561098
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methyl-1H-imidazol-3-ium-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 159968877
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;2,3-dimethylthiophene;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,3,5-trimethylfuran;1,2-xylene
CID 160047838

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine (CID 158443927) is 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine is c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)oc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnnnc1.c1ncc2[nH]cnc2n1.c1ncncn1.c1nncnn1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine?
The InChIKey is HDDQIOYVPLKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.C9H7N.3C8H7N.C8H6O.C8H6S.2C7H6N2.C5H4N4.C5H5N.3C4H4N2.3C3H3N3.C2H2N4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-4-5(8-2-6-1)9-3-7-4;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;1-4-2-6-3-5-1;1-2-5-6-3-4-1;1-2-4-6-5-3-1;1-3-5-2-6-4-1/h1-8H;1-7H;1-7H;2*1-6,9H;2*1-6H;2*1-5H,(H,8,9);1-3H,(H,6,7,8,9);1-5H;3*1-4H;3*1-3H;1-2H.
What are the key properties of 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine?
1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine has a molecular weight of 1902.21 g/mol, XLogP of 22.30, 0 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1-benzothiophene;dibenzofuran;1H-indazole;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;1,2,4,5-tetrazine;triazine;1,2,4-triazine;1,3,5-triazine is sourced from PubChem (CID 158443927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).