(R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine

C13H11FN4S — CID 97287118

IUPAC(R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESN[C@H](c1ccc(F)cc1)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C13H11FN4S/c14-9-5-3-8(4-6-9)11(15)13-16-12(17-18-13)10-2-1-7-19-10/h1-7,11H,15H2,(H,16,17,18)/t11-/m1/s1
InChIKeyJJWAATPJQGBLNX-LLVKDONJSA-N
MW274.32 g/mol
LogP2.72
Rot. Bonds3

About (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine

(R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 97287118) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
PubChem CID97287118
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name(R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESN[C@H](c1ccc(F)cc1)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C13H11FN4S/c14-9-5-3-8(4-6-9)11(15)13-16-12(17-18-13)10-2-1-7-19-10/h1-7,11H,15H2,(H,16,17,18)/t11-/m1/s1
InChIKeyJJWAATPJQGBLNX-LLVKDONJSA-N
XLogP2.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine (CID 97287118) is (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine is N[C@H](c1ccc(F)cc1)c1nc(-c2cccs2)n[nH]1.
What is the InChIKey of (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is JJWAATPJQGBLNX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11FN4S/c14-9-5-3-8(4-6-9)11(15)13-16-12(17-18-13)10-2-1-7-19-10/h1-7,11H,15H2,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
(R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 274.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluorophenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 97287118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).