4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile

C16H10N4O2 — CID 155934136

IUPAC4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2n[nH]nc2C(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H10N4O2/c17-9-10-5-7-11(8-6-10)14-15(19-20-18-14)16(22)12-3-1-2-4-13(12)21/h1-8,21H,(H,18,19,20)
InChIKeyILAIBGXUVIAGEN-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.28
Rot. Bonds3

About 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile

4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile (PubChem CID 155934136) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile
PubChem CID155934136
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2n[nH]nc2C(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H10N4O2/c17-9-10-5-7-11(8-6-10)14-15(19-20-18-14)16(22)12-3-1-2-4-13(12)21/h1-8,21H,(H,18,19,20)
InChIKeyILAIBGXUVIAGEN-UHFFFAOYSA-N
XLogP2.28
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
CID 155934303
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone
CID 155934296
(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone
CID 155934139
4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzonitrile
CID 148916295
2-(4-cyanophenyl)benzoic acid
CID 2757952
4-(2,6-dihydroxyphenyl)benzonitrile
CID 175279550
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
4-(2-oxaldehydoylphenyl)benzonitrile
CID 21314406
ethyl 5-[4-[(2-cyanophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169399687
ethyl 5-[3-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxylate
CID 169399882
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile?
The IUPAC name of 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile (CID 155934136) is 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile?
The canonical SMILES for 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile is N#Cc1ccc(-c2n[nH]nc2C(=O)c2ccccc2O)cc1.
What is the InChIKey of 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile?
The InChIKey is ILAIBGXUVIAGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c17-9-10-5-7-11(8-6-10)14-15(19-20-18-14)16(22)12-3-1-2-4-13(12)21/h1-8,21H,(H,18,19,20).
What are the key properties of 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile?
4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile has a molecular weight of 290.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile is sourced from PubChem (CID 155934136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).