3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide

C9H7FN4O — CID 807820

IUPAC3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(F)c1
InChIInChI=1S/C9H7FN4O/c10-7-3-1-2-6(4-7)8(15)13-9-11-5-12-14-9/h1-5H,(H2,11,12,13,14,15)
InChIKeyAQERYHSAKUBTEX-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.20
Rot. Bonds2

About 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide

3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 807820) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID807820
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(F)c1
InChIInChI=1S/C9H7FN4O/c10-7-3-1-2-6(4-7)8(15)13-9-11-5-12-14-9/h1-5H,(H2,11,12,13,14,15)
InChIKeyAQERYHSAKUBTEX-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 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 807820) is 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is AQERYHSAKUBTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c10-7-3-1-2-6(4-7)8(15)13-9-11-5-12-14-9/h1-5H,(H2,11,12,13,14,15).
What are the key properties of 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide 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 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 807820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).