5-(4-cyanophenyl)-2H-triazole-4-carboxamide

C10H7N5O — CID 169401962

IUPAC5-(4-cyanophenyl)-2H-triazole-4-carboxamide
SMILESN#Cc1ccc(-c2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C10H7N5O/c11-5-6-1-3-7(4-2-6)8-9(10(12)16)14-15-13-8/h1-4H,(H2,12,16)(H,13,14,15)
InChIKeyQWAQGTRMLIQGLW-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.44
Rot. Bonds2

About 5-(4-cyanophenyl)-2H-triazole-4-carboxamide

5-(4-cyanophenyl)-2H-triazole-4-carboxamide (PubChem CID 169401962) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-2H-triazole-4-carboxamide
PubChem CID169401962
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name5-(4-cyanophenyl)-2H-triazole-4-carboxamide
SMILESN#Cc1ccc(-c2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C10H7N5O/c11-5-6-1-3-7(4-2-6)8-9(10(12)16)14-15-13-8/h1-4H,(H2,12,16)(H,13,14,15)
InChIKeyQWAQGTRMLIQGLW-UHFFFAOYSA-N
XLogP0.44
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-pyrimidin-5-ylethynyl)phenyl]-2H-triazole-4-carboxamide
CID 169403167
4-[5-(2-hydroxybenzoyl)-2H-triazol-4-yl]benzonitrile
CID 155934136
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169404212
5-(3-cyano-4-nitrophenyl)-2H-triazole-4-carboxamide
CID 169404274
5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
5-[4-(4-nitrophenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404270
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide
CID 169402181
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-2H-triazole-4-carboxamide (CID 169401962) is 5-(4-cyanophenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-2H-triazole-4-carboxamide is N#Cc1ccc(-c2n[nH]nc2C(N)=O)cc1.
What is the InChIKey of 5-(4-cyanophenyl)-2H-triazole-4-carboxamide?
The InChIKey is QWAQGTRMLIQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c11-5-6-1-3-7(4-2-6)8-9(10(12)16)14-15-13-8/h1-4H,(H2,12,16)(H,13,14,15).
What are the key properties of 5-(4-cyanophenyl)-2H-triazole-4-carboxamide?
5-(4-cyanophenyl)-2H-triazole-4-carboxamide has a molecular weight of 213.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169401962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).