N-(4-fluorophenyl)-2H-triazole-4-carboxamide

C9H7FN4O — CID 16663123

IUPACN-(4-fluorophenyl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cn[nH]n1
InChIInChI=1S/C9H7FN4O/c10-6-1-3-7(4-2-6)12-9(15)8-5-11-14-13-8/h1-5H,(H,12,15)(H,11,13,14)
InChIKeyOJVNTRIPQRYYMN-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.20
Rot. Bonds2

About N-(4-fluorophenyl)-2H-triazole-4-carboxamide

N-(4-fluorophenyl)-2H-triazole-4-carboxamide (PubChem CID 16663123) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2H-triazole-4-carboxamide
PubChem CID16663123
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC NameN-(4-fluorophenyl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cn[nH]n1
InChIInChI=1S/C9H7FN4O/c10-6-1-3-7(4-2-6)12-9(15)8-5-11-14-13-8/h1-5H,(H,12,15)(H,11,13,14)
InChIKeyOJVNTRIPQRYYMN-UHFFFAOYSA-N
XLogP1.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2H-triazole-4-carboxamide (CID 16663123) is N-(4-fluorophenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2H-triazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cn[nH]n1.
What is the InChIKey of N-(4-fluorophenyl)-2H-triazole-4-carboxamide?
The InChIKey is OJVNTRIPQRYYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c10-6-1-3-7(4-2-6)12-9(15)8-5-11-14-13-8/h1-5H,(H,12,15)(H,11,13,14).
What are the key properties of N-(4-fluorophenyl)-2H-triazole-4-carboxamide?
N-(4-fluorophenyl)-2H-triazole-4-carboxamide has a molecular weight of 206.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 16663123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).