5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

C10H5Cl2F3N4O — CID 169402340

IUPAC5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1c(Cl)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H5Cl2F3N4O/c11-4-2-1-3(10(13,14)15)6(12)5(4)7-8(9(16)20)18-19-17-7/h1-2H,(H2,16,20)(H,17,18,19)
InChIKeyQODBLZBBUBTKMI-UHFFFAOYSA-N
MW325.08 g/mol
LogP2.90
Rot. Bonds2

About 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402340) has the molecular formula C10H5Cl2F3N4O and a molecular weight of 325.08 g/mol. Its IUPAC name is 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402340
Molecular FormulaC10H5Cl2F3N4O
Molecular Weight325.08 g/mol
Exact Mass323.98
IUPAC Name5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1c(Cl)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H5Cl2F3N4O/c11-4-2-1-3(10(13,14)15)6(12)5(4)7-8(9(16)20)18-19-17-7/h1-2H,(H2,16,20)(H,17,18,19)
InChIKeyQODBLZBBUBTKMI-UHFFFAOYSA-N
XLogP2.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.08
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,6-dichloro-2-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402307
5-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404502
2-(5-carbamoyl-2H-triazol-4-yl)-3-chlorobenzoic acid
CID 169403056
5-[2-iodo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404458
5-(2,6-dichloro-4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169404212
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
5-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169403623
5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404442
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402175
5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402955
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (CID 169402340) is 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1c(Cl)ccc(C(F)(F)F)c1Cl.
What is the InChIKey of 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is QODBLZBBUBTKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N4O/c11-4-2-1-3(10(13,14)15)6(12)5(4)7-8(9(16)20)18-19-17-7/h1-2H,(H2,16,20)(H,17,18,19).
What are the key properties of 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 325.08 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).