5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide

C9H6F2N4O — CID 169402046

IUPAC5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C9H6F2N4O/c10-5-1-4(2-6(11)3-5)7-8(9(12)16)14-15-13-7/h1-3H,(H2,12,16)(H,13,14,15)
InChIKeyWPBPPTDXAWCQTE-UHFFFAOYSA-N
MW224.17 g/mol
LogP0.85
Rot. Bonds2

About 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide

5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide (PubChem CID 169402046) has the molecular formula C9H6F2N4O and a molecular weight of 224.17 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
PubChem CID169402046
Molecular FormulaC9H6F2N4O
Molecular Weight224.17 g/mol
Exact Mass224.05
IUPAC Name5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C9H6F2N4O/c10-5-1-4(2-6(11)3-5)7-8(9(12)16)14-15-13-7/h1-3H,(H2,12,16)(H,13,14,15)
InChIKeyWPBPPTDXAWCQTE-UHFFFAOYSA-N
XLogP0.85
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169403623
5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402590
5-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404502
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
3-(5-carbamoyl-2H-triazol-4-yl)-5-iodobenzoic acid
CID 169402766
5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402586
5-(3,4-dihydroxy-5-nitrophenyl)-2H-triazole-4-carboxamide
CID 169402022
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide (CID 169402046) is 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide?
The InChIKey is WPBPPTDXAWCQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4O/c10-5-1-4(2-6(11)3-5)7-8(9(12)16)14-15-13-7/h1-3H,(H2,12,16)(H,13,14,15).
What are the key properties of 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide?
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide has a molecular weight of 224.17 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).