3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide

C10H10FN5OS — CID 43658502

IUPAC3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
SMILESCn1cnnc1Sc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C10H10FN5OS/c1-16-5-13-14-10(16)18-8-3-2-6(4-7(8)11)9(12)15-17/h2-5,17H,1H3,(H2,12,15)
InChIKeyFFPFZVLENXFNCC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.20
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide (PubChem CID 43658502) has the molecular formula C10H10FN5OS and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
PubChem CID43658502
Molecular FormulaC10H10FN5OS
Molecular Weight267.29 g/mol
Exact Mass267.06
IUPAC Name3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
SMILESCn1cnnc1Sc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C10H10FN5OS/c1-16-5-13-14-10(16)18-8-3-2-6(4-7(8)11)9(12)15-17/h2-5,17H,1H3,(H2,12,15)
InChIKeyFFPFZVLENXFNCC-UHFFFAOYSA-N
XLogP1.20
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide (CID 43658502) is 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide is Cn1cnnc1Sc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is FFPFZVLENXFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5OS/c1-16-5-13-14-10(16)18-8-3-2-6(4-7(8)11)9(12)15-17/h2-5,17H,1H3,(H2,12,15).
What are the key properties of 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 267.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 43658502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).