2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide

C10H10FN5OS — CID 107118354

IUPAC2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CSc2ncn[nH]2)c1F
InChIInChI=1S/C10H10FN5OS/c11-8-6(4-18-10-13-5-14-15-10)2-1-3-7(8)9(12)16-17/h1-3,5,17H,4H2,(H2,12,16)(H,13,14,15)
InChIKeyGMZBZTRZYSSGMA-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.33
Rot. Bonds4

About 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide

2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide (PubChem CID 107118354) has the molecular formula C10H10FN5OS and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide
PubChem CID107118354
Molecular FormulaC10H10FN5OS
Molecular Weight267.29 g/mol
Exact Mass267.06
IUPAC Name2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(CSc2ncn[nH]2)c1F
InChIInChI=1S/C10H10FN5OS/c11-8-6(4-18-10-13-5-14-15-10)2-1-3-7(8)9(12)16-17/h1-3,5,17H,4H2,(H2,12,16)(H,13,14,15)
InChIKeyGMZBZTRZYSSGMA-UHFFFAOYSA-N
XLogP1.33
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide (CID 107118354) is 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide is N/C(=N/O)c1cccc(CSc2ncn[nH]2)c1F.
What is the InChIKey of 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is GMZBZTRZYSSGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5OS/c11-8-6(4-18-10-13-5-14-15-10)2-1-3-7(8)9(12)16-17/h1-3,5,17H,4H2,(H2,12,16)(H,13,14,15).
What are the key properties of 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide?
2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 267.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 107118354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).