N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide

C17H10N6O — CID 75517629

IUPACN-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1C#N
InChIInChI=1S/C17H10N6O/c18-8-13-1-4-15(7-14(13)9-19)22-17(24)12-2-5-16(6-3-12)23-10-20-21-11-23/h1-7,10-11H,(H,22,24)
InChIKeyHBJDEUMUWVJTQM-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.26
Rot. Bonds3

About N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide

N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 75517629) has the molecular formula C17H10N6O and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID75517629
Molecular FormulaC17H10N6O
Molecular Weight314.31 g/mol
Exact Mass314.09
IUPAC NameN-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1C#N
InChIInChI=1S/C17H10N6O/c18-8-13-1-4-15(7-14(13)9-19)22-17(24)12-2-5-16(6-3-12)23-10-20-21-11-23/h1-7,10-11H,(H,22,24)
InChIKeyHBJDEUMUWVJTQM-UHFFFAOYSA-N
XLogP2.26
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
N-(3-hydroxyphenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 6459181
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
N-(3,4-dicyanophenyl)acetamide
CID 12938829
4-(3,4-dicyanophenoxy)-N-[4-[[4-(3,4-dicyanophenoxy)benzoyl]amino]phenyl]benzamide
CID 10886540
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882082
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 75517629) is N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide is N#Cc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1C#N.
What is the InChIKey of N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is HBJDEUMUWVJTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N6O/c18-8-13-1-4-15(7-14(13)9-19)22-17(24)12-2-5-16(6-3-12)23-10-20-21-11-23/h1-7,10-11H,(H,22,24).
What are the key properties of N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 314.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 75517629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).