1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide

C10H9FN4O2 — CID 137155270

IUPAC1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C10H9FN4O2/c11-7-4-2-1-3-6(7)5-15-10(17)13-9(14-15)8(12)16/h1-4H,5H2,(H2,12,16)(H,13,14,17)
InChIKeyGTXJRIJIZPCEQG-UHFFFAOYSA-N
MW236.21 g/mol
LogP-0.14
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide

1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 137155270) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID137155270
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C10H9FN4O2/c11-7-4-2-1-3-6(7)5-15-10(17)13-9(14-15)8(12)16/h1-4H,5H2,(H2,12,16)(H,13,14,17)
InChIKeyGTXJRIJIZPCEQG-UHFFFAOYSA-N
XLogP-0.14
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754
1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517685
1-[(2-fluorophenyl)methyl]pyrazole-3,5-dicarboxylate
CID 22224479
methyl 4-amino-5-bromo-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 168911179
1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 26845028
1-[(2-fluorophenyl)methyl]-5-methylsulfonylpyrazole-3-carboxylic acid
CID 118962863
1-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 118697584
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
5-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 56769146
3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 165435259
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 137155270) is 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide is NC(=O)c1nn(Cc2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is GTXJRIJIZPCEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c11-7-4-2-1-3-6(7)5-15-10(17)13-9(14-15)8(12)16/h1-4H,5H2,(H2,12,16)(H,13,14,17).
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 236.21 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137155270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).