[5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine

C10H11FN4S — CID 66064553

IUPAC[5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine
SMILESNCc1n[nH]c(CSc2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4S/c11-7-1-3-8(4-2-7)16-6-10-13-9(5-12)14-15-10/h1-4H,5-6,12H2,(H,13,14,15)
InChIKeySZLJUFYGKIODJT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.69
Rot. Bonds4

About [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine

[5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine (PubChem CID 66064553) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine
PubChem CID66064553
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name[5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine
SMILESNCc1n[nH]c(CSc2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4S/c11-7-1-3-8(4-2-7)16-6-10-13-9(5-12)14-15-10/h1-4H,5-6,12H2,(H,13,14,15)
InChIKeySZLJUFYGKIODJT-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine (CID 66064553) is [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine is NCc1n[nH]c(CSc2ccc(F)cc2)n1.
What is the InChIKey of [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine?
The InChIKey is SZLJUFYGKIODJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c11-7-1-3-8(4-2-7)16-6-10-13-9(5-12)14-15-10/h1-4H,5-6,12H2,(H,13,14,15).
What are the key properties of [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine?
[5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 66064553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).