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

C9H8N4O3 — CID 169402317

IUPAC5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(O)cc(O)c1
InChIInChI=1S/C9H8N4O3/c10-9(16)8-7(11-13-12-8)4-1-5(14)3-6(15)2-4/h1-3,14-15H,(H2,10,16)(H,11,12,13)
InChIKeyRRRGJUQPEAYSFY-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.02
Rot. Bonds2

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

5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402317) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169402317
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(O)cc(O)c1
InChIInChI=1S/C9H8N4O3/c10-9(16)8-7(11-13-12-8)4-1-5(14)3-6(15)2-4/h1-3,14-15H,(H2,10,16)(H,11,12,13)
InChIKeyRRRGJUQPEAYSFY-UHFFFAOYSA-N
XLogP-0.02
TPSA125.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
5-(3,4-dihydroxy-5-nitrophenyl)-2H-triazole-4-carboxamide
CID 169402022
3-(5-carbamoyl-2H-triazol-4-yl)-5-iodobenzoic acid
CID 169402766
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
CID 169402146
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
CID 169402124
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide (CID 169402317) is 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cc(O)cc(O)c1.
What is the InChIKey of 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is RRRGJUQPEAYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c10-9(16)8-7(11-13-12-8)4-1-5(14)3-6(15)2-4/h1-3,14-15H,(H2,10,16)(H,11,12,13).
What are the key properties of 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide?
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 220.19 g/mol, XLogP of -0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).