5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide

C10H9FN4O3 — CID 169404852

IUPAC5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1cc(F)cc(-c2n[nH]nc2C(N)=O)c1O
InChIInChI=1S/C10H9FN4O3/c1-18-6-3-4(11)2-5(9(6)16)7-8(10(12)17)14-15-13-7/h2-3,16H,1H3,(H2,12,17)(H,13,14,15)
InChIKeyHQKHVJHLLIFBBL-UHFFFAOYSA-N
MW252.21 g/mol
LogP0.42
Rot. Bonds3

About 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide

5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169404852) has the molecular formula C10H9FN4O3 and a molecular weight of 252.21 g/mol. Its IUPAC name is 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169404852
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1cc(F)cc(-c2n[nH]nc2C(N)=O)c1O
InChIInChI=1S/C10H9FN4O3/c1-18-6-3-4(11)2-5(9(6)16)7-8(10(12)17)14-15-13-7/h2-3,16H,1H3,(H2,12,17)(H,13,14,15)
InChIKeyHQKHVJHLLIFBBL-UHFFFAOYSA-N
XLogP0.42
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402902
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404776
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402633
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-(3-bromo-4-fluoro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404864

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide (CID 169404852) is 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide is COc1cc(F)cc(-c2n[nH]nc2C(N)=O)c1O.
What is the InChIKey of 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is HQKHVJHLLIFBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3/c1-18-6-3-4(11)2-5(9(6)16)7-8(10(12)17)14-15-13-7/h2-3,16H,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide?
5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 252.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).