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

C9H7FN4O — CID 2168417

IUPAC4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN4O/c10-7-3-1-6(2-4-7)8(15)13-9-11-5-12-14-9/h1-5H,(H2,11,12,13,14,15)
InChIKeyIQKDVBNLQJETPN-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.20
Rot. Bonds2

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

4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 2168417) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID2168417
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN4O/c10-7-3-1-6(2-4-7)8(15)13-9-11-5-12-14-9/h1-5H,(H2,11,12,13,14,15)
InChIKeyIQKDVBNLQJETPN-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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Related Compounds

4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814664
4-methyl-N-4H-1,2,4-triazol-3-ylbenzamide
CID 871044
3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 839995
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
2,4-dichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3959697
2-(allylthio)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 16477392
3,4-dichloro-N-(1H-1,2,4-triazol-3-yl)benzamide
CID 17385460
2-fluoro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135465188
3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 807820
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 576827
4-tert-butyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 595272

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 2168417) is 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is IQKDVBNLQJETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c10-7-3-1-6(2-4-7)8(15)13-9-11-5-12-14-9/h1-5H,(H2,11,12,13,14,15).
What are the key properties of 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-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 4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 2168417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).