[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine

C15H15FN4S — CID 118905595

IUPAC[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(Cc2cccs2)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN4S/c16-12-5-3-11(4-6-12)10-20-14(18-19-15(20)9-17)8-13-2-1-7-21-13/h1-7H,8-10,17H2
InChIKeyDENYNISSBBIELR-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.58
Rot. Bonds5

About [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine

[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 118905595) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID118905595
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(Cc2cccs2)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN4S/c16-12-5-3-11(4-6-12)10-20-14(18-19-15(20)9-17)8-13-2-1-7-21-13/h1-7H,8-10,17H2
InChIKeyDENYNISSBBIELR-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine (CID 118905595) is [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine is NCc1nnc(Cc2cccs2)n1Cc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is DENYNISSBBIELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c16-12-5-3-11(4-6-12)10-20-14(18-19-15(20)9-17)8-13-2-1-7-21-13/h1-7H,8-10,17H2.
What are the key properties of [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 302.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 118905595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).