5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide

C16H11N5O — CID 169402878

IUPAC5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
SMILESN#Cc1cccc(-c2ccccc2-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C16H11N5O/c17-9-10-4-3-5-11(8-10)12-6-1-2-7-13(12)14-15(16(18)22)20-21-19-14/h1-8H,(H2,18,22)(H,19,20,21)
InChIKeyPYELAURLQKRXTJ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.11
Rot. Bonds3

About 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide

5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402878) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402878
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
SMILESN#Cc1cccc(-c2ccccc2-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C16H11N5O/c17-9-10-4-3-5-11(8-10)12-6-1-2-7-13(12)14-15(16(18)22)20-21-19-14/h1-8H,(H2,18,22)(H,19,20,21)
InChIKeyPYELAURLQKRXTJ-UHFFFAOYSA-N
XLogP2.11
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
ethyl 5-[3-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxylate
CID 169399882
5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169404212
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
2-(3-cyanophenyl)-N-propylbenzamide
CID 56707495
3-[2-(hydroxymethyl)phenyl]benzonitrile
CID 1392149
2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890786
4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
CID 23630140
5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide
CID 169404898
5-(3-cyano-4-nitrophenyl)-2H-triazole-4-carboxamide
CID 169404274
5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402614
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide (CID 169402878) is 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide is N#Cc1cccc(-c2ccccc2-c2n[nH]nc2C(N)=O)c1.
What is the InChIKey of 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is PYELAURLQKRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c17-9-10-4-3-5-11(8-10)12-6-1-2-7-13(12)14-15(16(18)22)20-21-19-14/h1-8H,(H2,18,22)(H,19,20,21).
What are the key properties of 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide?
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).