4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine

C142H131BrIN53O3 — CID 159204769

IUPAC4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine
SMILESBrc1cccc(-c2cn[nH]n2)c1.C1=C(c2cc3ccccc3o2)CN=N1.C1=C(c2ccccc2-c2ccccc2)CN=N1.CCCc1ccc(-c2cn[nH]n2)cc1.CCc1ccc(-c2cn[nH]n2)cc1.COc1ccccc1-c1cn[nH]n1.Cc1ccc(-c2cn[nH]n2)nc1.Cc1cccc(-c2cn[nH]n2)n1.Cc1ccccc1-c1cn[nH]n1.Cc1ccnc(-c2cn[nH]n2)c1.Ic1cccc(-c2cn[nH]n2)c1.Nc1cccc(-c2cn[nH]n2)c1.Oc1cccc(-c2cn[nH]n2)c1.c1cc(-c2cn[nH]n2)ccn1.c1ccc(-c2cn[nH]n2)nc1.c1cncc(-c2cn[nH]n2)c1
InChIInChI=1S/C15H12N2.C11H13N3.C11H8N2O.C10H11N3.C9H9N3O.C9H9N3.C8H6BrN3.C8H6IN3.4C8H8N4.C8H7N3O.3C7H6N4/c1-2-6-12(7-3-1)14-8-4-5-9-15(14)13-10-16-17-11-13;1-2-3-9-4-6-10(7-5-9)11-8-12-14-13-11;1-2-4-10-8(3-1)5-11(14-10)9-6-12-13-7-9;1-2-8-3-5-9(6-4-8)10-7-11-13-12-10;1-13-9-5-3-2-4-7(9)8-6-10-12-11-8;1-7-4-2-3-5-8(7)9-6-10-12-11-9;2*9-7-3-1-2-6(4-7)8-5-10-12-11-8;1-6-2-3-9-7(4-6)8-5-10-12-11-8;1-6-2-3-7(9-4-6)8-5-10-12-11-8;1-6-3-2-4-7(10-6)8-5-9-12-11-8;9-7-3-1-2-6(4-7)8-5-10-12-11-8;12-7-3-1-2-6(4-7)8-5-9-11-10-8;1-3-8-4-2-6(1)7-5-9-11-10-7;1-2-6(4-8-3-1)7-5-9-11-10-7;1-2-4-8-6(3-1)7-5-9-11-10-7/h1-10H,11H2;4-8H,2-3H2,1H3,(H,12,13,14);1-6H,7H2;3-7H,2H2,1H3,(H,11,12,13);2-6H,1H3,(H,10,11,12);2-6H,1H3,(H,10,11,12);2*1-5H,(H,10,11,12);2*2-5H,1H3,(H,10,11,12);2-5H,1H3,(H,9,11,12);1-5H,9H2,(H,10,11,12);1-5,12H,(H,9,10,11);3*1-5H,(H,9,10,11)
InChIKeyKPSUQGPDGLEGQS-UHFFFAOYSA-N
MW2834.79 g/mol
LogP27.79
Rot. Bonds21

About 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine

4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine (PubChem CID 159204769) has the molecular formula C142H131BrIN53O3 and a molecular weight of 2834.79 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine
PubChem CID159204769
Molecular FormulaC142H131BrIN53O3
Molecular Weight2834.79 g/mol
Exact Mass2832.00
IUPAC Name4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine
SMILESBrc1cccc(-c2cn[nH]n2)c1.C1=C(c2cc3ccccc3o2)CN=N1.C1=C(c2ccccc2-c2ccccc2)CN=N1.CCCc1ccc(-c2cn[nH]n2)cc1.CCc1ccc(-c2cn[nH]n2)cc1.COc1ccccc1-c1cn[nH]n1.Cc1ccc(-c2cn[nH]n2)nc1.Cc1cccc(-c2cn[nH]n2)n1.Cc1ccccc1-c1cn[nH]n1.Cc1ccnc(-c2cn[nH]n2)c1.Ic1cccc(-c2cn[nH]n2)c1.Nc1cccc(-c2cn[nH]n2)c1.Oc1cccc(-c2cn[nH]n2)c1.c1cc(-c2cn[nH]n2)ccn1.c1ccc(-c2cn[nH]n2)nc1.c1cncc(-c2cn[nH]n2)c1
InChIInChI=1S/C15H12N2.C11H13N3.C11H8N2O.C10H11N3.C9H9N3O.C9H9N3.C8H6BrN3.C8H6IN3.4C8H8N4.C8H7N3O.3C7H6N4/c1-2-6-12(7-3-1)14-8-4-5-9-15(14)13-10-16-17-11-13;1-2-3-9-4-6-10(7-5-9)11-8-12-14-13-11;1-2-4-10-8(3-1)5-11(14-10)9-6-12-13-7-9;1-2-8-3-5-9(6-4-8)10-7-11-13-12-10;1-13-9-5-3-2-4-7(9)8-6-10-12-11-8;1-7-4-2-3-5-8(7)9-6-10-12-11-9;2*9-7-3-1-2-6(4-7)8-5-10-12-11-8;1-6-2-3-9-7(4-6)8-5-10-12-11-8;1-6-2-3-7(9-4-6)8-5-10-12-11-8;1-6-3-2-4-7(10-6)8-5-9-12-11-8;9-7-3-1-2-6(4-7)8-5-10-12-11-8;12-7-3-1-2-6(4-7)8-5-9-11-10-8;1-3-8-4-2-6(1)7-5-9-11-10-7;1-2-6(4-8-3-1)7-5-9-11-10-7;1-2-4-8-6(3-1)7-5-9-11-10-7/h1-10H,11H2;4-8H,2-3H2,1H3,(H,12,13,14);1-6H,7H2;3-7H,2H2,1H3,(H,11,12,13);2-6H,1H3,(H,10,11,12);2-6H,1H3,(H,10,11,12);2*1-5H,(H,10,11,12);2*2-5H,1H3,(H,10,11,12);2-5H,1H3,(H,9,11,12);1-5H,9H2,(H,10,11,12);1-5,12H,(H,9,10,11);3*1-5H,(H,9,10,11)
InChIKeyKPSUQGPDGLEGQS-UHFFFAOYSA-N
XLogP27.79
TPSA777.38 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds21
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002834.79
LogP ≤ 527.79
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine with MolForge

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Related Compounds

2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine
CID 159426682
1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine
CID 158405395
1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine
CID 161162835
1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane
CID 159529298
5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
CID 165000889
6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
CID 165079543
1,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;bis(2-methyl-6-(3-methylphenyl)pyridine);5-methyl-2-(4-methylphenyl)pyrimidine;2-methyl-4-(5-methyl-3-pyridinyl)pyridine;2-methyl-6-(4-methyl-2-pyridinyl)pyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 157411591
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
CID 162204735
4-(1,3-benzodioxol-4-yl)-2H-triazole;4-(1,3-benzodioxol-5-yl)-2H-triazole;4-(2-bromophenyl)-2H-triazole;4-[2-(4-chlorophenyl)sulfanylphenyl]-2H-triazole;4-(2,4-dichlorophenyl)-2H-triazole;4-(2,4-dimethylphenyl)-2H-triazole;4-(2-phenylmethoxyphenyl)-2H-triazole;4-[3-(3-phenylpropyl)phenyl]-2H-triazole;N-(3-phenylpropyl)-3-(3H-pyrazol-4-yl)aniline
CID 161103949
5-[3,5-bis(3-methylphenyl)phenyl]-2-[5-[3,5-bis(3-methylphenyl)phenyl]-2-pyridinyl]pyridine;5-[3,5-bis(3-methylphenyl)phenyl]-2-pyridin-2-ylpyridine;2-[4-(2,5-dimethylphenyl)phenyl]-6-pyridin-2-ylpyridine;2-[5-(2,5-dimethylphenyl)-2-pyridinyl]-5-(3,5-diphenylphenyl)pyridine;2-[3-(4-methylphenyl)phenyl]-6-[6-[3-(4-methylphenyl)phenyl]-2-pyridinyl]pyridine;2-[4-(3-methylphenyl)phenyl]-6-[6-[4-(3-methylphenyl)phenyl]-2-pyridinyl]pyridine
CID 157138374
ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 159010834
4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
CID 164965802

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine?
The IUPAC name of 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine (CID 159204769) is 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine is Brc1cccc(-c2cn[nH]n2)c1.C1=C(c2cc3ccccc3o2)CN=N1.C1=C(c2ccccc2-c2ccccc2)CN=N1.CCCc1ccc(-c2cn[nH]n2)cc1.CCc1ccc(-c2cn[nH]n2)cc1.COc1ccccc1-c1cn[nH]n1.Cc1ccc(-c2cn[nH]n2)nc1.Cc1cccc(-c2cn[nH]n2)n1.Cc1ccccc1-c1cn[nH]n1.Cc1ccnc(-c2cn[nH]n2)c1.Ic1cccc(-c2cn[nH]n2)c1.Nc1cccc(-c2cn[nH]n2)c1.Oc1cccc(-c2cn[nH]n2)c1.c1cc(-c2cn[nH]n2)ccn1.c1ccc(-c2cn[nH]n2)nc1.c1cncc(-c2cn[nH]n2)c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine?
The InChIKey is KPSUQGPDGLEGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2.C11H13N3.C11H8N2O.C10H11N3.C9H9N3O.C9H9N3.C8H6BrN3.C8H6IN3.4C8H8N4.C8H7N3O.3C7H6N4/c1-2-6-12(7-3-1)14-8-4-5-9-15(14)13-10-16-17-11-13;1-2-3-9-4-6-10(7-5-9)11-8-12-14-13-11;1-2-4-10-8(3-1)5-11(14-10)9-6-12-13-7-9;1-2-8-3-5-9(6-4-8)10-7-11-13-12-10;1-13-9-5-3-2-4-7(9)8-6-10-12-11-8;1-7-4-2-3-5-8(7)9-6-10-12-11-9;2*9-7-3-1-2-6(4-7)8-5-10-12-11-8;1-6-2-3-9-7(4-6)8-5-10-12-11-8;1-6-2-3-7(9-4-6)8-5-10-12-11-8;1-6-3-2-4-7(10-6)8-5-9-12-11-8;9-7-3-1-2-6(4-7)8-5-10-12-11-8;12-7-3-1-2-6(4-7)8-5-9-11-10-8;1-3-8-4-2-6(1)7-5-9-11-10-7;1-2-6(4-8-3-1)7-5-9-11-10-7;1-2-4-8-6(3-1)7-5-9-11-10-7/h1-10H,11H2;4-8H,2-3H2,1H3,(H,12,13,14);1-6H,7H2;3-7H,2H2,1H3,(H,11,12,13);2-6H,1H3,(H,10,11,12);2-6H,1H3,(H,10,11,12);2*1-5H,(H,10,11,12);2*2-5H,1H3,(H,10,11,12);2-5H,1H3,(H,9,11,12);1-5H,9H2,(H,10,11,12);1-5,12H,(H,9,10,11);3*1-5H,(H,9,10,11).
What are the key properties of 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine?
4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine has a molecular weight of 2834.79 g/mol, XLogP of 27.79, 21 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-3H-pyrazole;4-(3-bromophenyl)-2H-triazole;4-(4-ethylphenyl)-2H-triazole;4-(3-iodophenyl)-2H-triazole;4-(2-methoxyphenyl)-2H-triazole;4-(2-methylphenyl)-2H-triazole;2-methyl-6-(2H-triazol-4-yl)pyridine;4-methyl-2-(2H-triazol-4-yl)pyridine;5-methyl-2-(2H-triazol-4-yl)pyridine;4-(2-phenylphenyl)-3H-pyrazole;4-(4-propylphenyl)-2H-triazole;3-(2H-triazol-4-yl)aniline;3-(2H-triazol-4-yl)phenol;2-(2H-triazol-4-yl)pyridine;3-(2H-triazol-4-yl)pyridine;4-(2H-triazol-4-yl)pyridine is sourced from PubChem (CID 159204769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).