5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide

C10H5Cl2N5O — CID 169404212

IUPAC5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide
SMILESN#Cc1cc(Cl)c(-c2n[nH]nc2C(N)=O)c(Cl)c1
InChIInChI=1S/C10H5Cl2N5O/c11-5-1-4(3-13)2-6(12)7(5)8-9(10(14)18)16-17-15-8/h1-2H,(H2,14,18)(H,15,16,17)
InChIKeyVRDSVDHQIDTLJF-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.75
Rot. Bonds2

About 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide

5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide (PubChem CID 169404212) has the molecular formula C10H5Cl2N5O and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide
PubChem CID169404212
Molecular FormulaC10H5Cl2N5O
Molecular Weight282.09 g/mol
Exact Mass280.99
IUPAC Name5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide
SMILESN#Cc1cc(Cl)c(-c2n[nH]nc2C(N)=O)c(Cl)c1
InChIInChI=1S/C10H5Cl2N5O/c11-5-1-4(3-13)2-6(12)7(5)8-9(10(14)18)16-17-15-8/h1-2H,(H2,14,18)(H,15,16,17)
InChIKeyVRDSVDHQIDTLJF-UHFFFAOYSA-N
XLogP1.75
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
5-(3,6-dichloro-2-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402307
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-(3-cyano-4-nitrophenyl)-2H-triazole-4-carboxamide
CID 169404274
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
5-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404502
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404442

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide (CID 169404212) is 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide is N#Cc1cc(Cl)c(-c2n[nH]nc2C(N)=O)c(Cl)c1.
What is the InChIKey of 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide?
The InChIKey is VRDSVDHQIDTLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N5O/c11-5-1-4(3-13)2-6(12)7(5)8-9(10(14)18)16-17-15-8/h1-2H,(H2,14,18)(H,15,16,17).
What are the key properties of 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide?
5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide has a molecular weight of 282.09 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).