1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole

C47H50N30 — CID 159154640

IUPAC1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole
SMILESc1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/2C8H7N.C7H6N2.C5H4N4.C5H5N.2C3H4N2.3C2H3N3.2CH2N4/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;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;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;3*1-2-4-5-3-1/h2*1-6,9H;1-5H,(H,8,9);1-3H,(H,6,7,8,9);1-5H;2*1-3H,(H,4,5);3*1-2H,(H,3,4,5);2*1H,(H,2,3,4,5)
InChIKeyKJSRQKJHHODOJY-UHFFFAOYSA-N
MW1035.13 g/mol
LogP5.97
Rot. Bonds

About 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole

1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole (PubChem CID 159154640) has the molecular formula C47H50N30 and a molecular weight of 1035.13 g/mol. Its IUPAC name is 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole.

Molecular Properties

Compound Name1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole
PubChem CID159154640
Molecular FormulaC47H50N30
Molecular Weight1035.13 g/mol
Exact Mass1034.48
IUPAC Name1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole
SMILESc1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/2C8H7N.C7H6N2.C5H4N4.C5H5N.2C3H4N2.3C2H3N3.2CH2N4/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;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;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;3*1-2-4-5-3-1/h2*1-6,9H;1-5H,(H,8,9);1-3H,(H,6,7,8,9);1-5H;2*1-3H,(H,4,5);3*1-2H,(H,3,4,5);2*1H,(H,2,3,4,5)
InChIKeyKJSRQKJHHODOJY-UHFFFAOYSA-N
XLogP5.97
TPSA418.60 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001035.13
LogP ≤ 55.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole with MolForge

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Related Compounds

1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole
CID 162063126
4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole
CID 158490207
1H-benzimidazole;2H-benzotriazole;ethane;1H-imidazole;1H-indazole;pyrazine;1H-pyrazin-2-one;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrimidin-2-one;1H-pyrimidin-6-one;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;1H-quinazolin-2-one;3H-quinazolin-4-one;1H-quinoxalin-2-one;1H-1,2,4-triazole;2H-triazole
CID 158034131
1H-imidazole;methane;1H-pyrazole;1H-pyrrole;bis(1H-1,2,4-triazole);2H-triazole
CID 160932307
1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole
CID 162045783
1-benzofuran;1-benzothiophene;2H-benzotriazole;dibenzofuran;furan;1H-imidazole;1H-indazole;1H-indole;indolizine;2H-isoindole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2,4,5-tetrazine;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;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole;2H-triazole
CID 159175360
1H-imidazole;4-methyl-1,4-dihydropyridine;5-methyl-1H-imidazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;5-(trifluoromethyl)-1H-1,2,4-triazole
CID 158892585
1H-pyrazole;1H-1,2,4-triazole;2H-triazole
CID 158009803
1-benzothiophene;1H-imidazole;1H-indole;oxadiazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole
CID 160579420
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;methane;2-methylisoindole-1,3-dione;1,8-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 158697994
ethane;furan;1H-imidazole;1H-indole;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 159493713
1-benzofuran;1-benzothiophene;1H-indazole;2H-isoindole;7H-purine;quinoline
CID 159084815

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole?
The IUPAC name of 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole (CID 159154640) is 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole.
What is the SMILES notation for 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole?
The canonical SMILES for 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole is c1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1nn[nH]n1.c1nn[nH]n1.
What is the InChIKey of 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole?
The InChIKey is KJSRQKJHHODOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.C7H6N2.C5H4N4.C5H5N.2C3H4N2.3C2H3N3.2CH2N4/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;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;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;3*1-2-4-5-3-1/h2*1-6,9H;1-5H,(H,8,9);1-3H,(H,6,7,8,9);1-5H;2*1-3H,(H,4,5);3*1-2H,(H,3,4,5);2*1H,(H,2,3,4,5).
What are the key properties of 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole?
1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole has a molecular weight of 1035.13 g/mol, XLogP of 5.97, 0 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1H-indazole;1H-indole;2H-isoindole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);bis(1H-1,2,4-triazole);2H-triazole is sourced from PubChem (CID 159154640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).