5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole

C11H9N5 — CID 2764127

IUPAC5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(-n2ccnc2)c(-c2ncn[nH]2)c1
InChIInChI=1S/C11H9N5/c1-2-4-10(16-6-5-12-8-16)9(3-1)11-13-7-14-15-11/h1-8H,(H,13,14,15)
InChIKeyMEOQWPMLKZKWFI-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.66
Rot. Bonds2

About 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole

5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole (PubChem CID 2764127) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole
PubChem CID2764127
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(-n2ccnc2)c(-c2ncn[nH]2)c1
InChIInChI=1S/C11H9N5/c1-2-4-10(16-6-5-12-8-16)9(3-1)11-13-7-14-15-11/h1-8H,(H,13,14,15)
InChIKeyMEOQWPMLKZKWFI-UHFFFAOYSA-N
XLogP1.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bentemazole
CID 68826
14-Fluoro-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 11715816
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)aniline
CID 22493236
5-Ethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
CID 44626290
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
2-(2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl)-6-(pyrazolidin-1-yl)pyrazine hydrochloride
CID 72706532
5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 10408951
10-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine
CID 11514205
15-Iodo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 11523399
5-(1,1-Difluoropropyl)-15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 11587778
15-Fluoro-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 11622991
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839983

Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole (CID 2764127) is 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole is c1ccc(-n2ccnc2)c(-c2ncn[nH]2)c1.
What is the InChIKey of 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole?
The InChIKey is MEOQWPMLKZKWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-2-4-10(16-6-5-12-8-16)9(3-1)11-13-7-14-15-11/h1-8H,(H,13,14,15).
What are the key properties of 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole?
5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole has a molecular weight of 211.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 2764127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).