1-(3-imidazol-1-ylphenyl)-1,2,4-triazole

C11H9N5 — CID 132570303

IUPAC1-(3-imidazol-1-ylphenyl)-1,2,4-triazole
SMILESc1cc(-n2ccnc2)cc(-n2cncn2)c1
InChIInChI=1S/C11H9N5/c1-2-10(15-5-4-12-8-15)6-11(3-1)16-9-13-7-14-16/h1-9H
InChIKeyGSJIJWZSIIPSJG-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.45
Rot. Bonds2

About 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole

1-(3-imidazol-1-ylphenyl)-1,2,4-triazole (PubChem CID 132570303) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-imidazol-1-ylphenyl)-1,2,4-triazole
PubChem CID132570303
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name1-(3-imidazol-1-ylphenyl)-1,2,4-triazole
SMILESc1cc(-n2ccnc2)cc(-n2cncn2)c1
InChIInChI=1S/C11H9N5/c1-2-10(15-5-4-12-8-15)6-11(3-1)16-9-13-7-14-16/h1-9H
InChIKeyGSJIJWZSIIPSJG-UHFFFAOYSA-N
XLogP1.45
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324544
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
silver 3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324543
1-(3-tert-butylphenyl)imidazole
CID 59332766
1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
CID 72710327
2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291048
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole
CID 175094962
1-naphthalen-2-ylimidazole
CID 23644748
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
CID 166216423

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole?
The IUPAC name of 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole (CID 132570303) is 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole is c1cc(-n2ccnc2)cc(-n2cncn2)c1.
What is the InChIKey of 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole?
The InChIKey is GSJIJWZSIIPSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-2-10(15-5-4-12-8-15)6-11(3-1)16-9-13-7-14-16/h1-9H.
What are the key properties of 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole?
1-(3-imidazol-1-ylphenyl)-1,2,4-triazole has a molecular weight of 211.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylphenyl)-1,2,4-triazole is sourced from PubChem (CID 132570303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).