5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile

C17H10N4O — CID 122479316

IUPAC5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(-c2ccc3occc3c2)c1
InChIInChI=1S/C17H10N4O/c18-10-15-17(20-21-19-15)14-3-1-2-11(9-14)12-4-5-16-13(8-12)6-7-22-16/h1-9H,(H,19,20,21)
InChIKeyMFHVUGSVRURGME-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.76
Rot. Bonds2

About 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile

5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile (PubChem CID 122479316) has the molecular formula C17H10N4O and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile
PubChem CID122479316
Molecular FormulaC17H10N4O
Molecular Weight286.29 g/mol
Exact Mass286.09
IUPAC Name5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(-c2ccc3occc3c2)c1
InChIInChI=1S/C17H10N4O/c18-10-15-17(20-21-19-15)14-3-1-2-11(9-14)12-4-5-16-13(8-12)6-7-22-16/h1-9H,(H,19,20,21)
InChIKeyMFHVUGSVRURGME-UHFFFAOYSA-N
XLogP3.76
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(3-acetylphenyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479305
5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479393
5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile
CID 122478783
5-[3-(6-methoxypyridazin-3-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122478071
5-[3-(7-fluoro-1-benzothiophen-2-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122477871
5-(1,3-benzodioxol-5-yl)-2H-triazole-4-carbonitrile
CID 6411540
5-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-benzofuran-2-yl]-2H-triazole-4-carbonitrile
CID 122478960
5-[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477181
5-(3-pyrimidin-2-yloxyphenyl)-2H-triazole-4-carbonitrile
CID 122478168
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
5-[4-amino-3-[3-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122447313
5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile
CID 122479197

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile (CID 122479316) is 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1cccc(-c2ccc3occc3c2)c1.
What is the InChIKey of 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is MFHVUGSVRURGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O/c18-10-15-17(20-21-19-15)14-3-1-2-11(9-14)12-4-5-16-13(8-12)6-7-22-16/h1-9H,(H,19,20,21).
What are the key properties of 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile?
5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 286.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122479316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).