3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine

C12H15FN4S — CID 724534

IUPAC3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
SMILESCCCc1nnc(SCc2ccc(F)cc2)n1N
InChIInChI=1S/C12H15FN4S/c1-2-3-11-15-16-12(17(11)14)18-8-9-4-6-10(13)7-5-9/h4-7H,2-3,8,14H2,1H3
InChIKeyGNAULPYQUXGAMX-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.38
Rot. Bonds5

About 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine

3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine (PubChem CID 724534) has the molecular formula C12H15FN4S and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
PubChem CID724534
Molecular FormulaC12H15FN4S
Molecular Weight266.35 g/mol
Exact Mass266.10
IUPAC Name3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
SMILESCCCc1nnc(SCc2ccc(F)cc2)n1N
InChIInChI=1S/C12H15FN4S/c1-2-3-11-15-16-12(17(11)14)18-8-9-4-6-10(13)7-5-9/h4-7H,2-3,8,14H2,1H3
InChIKeyGNAULPYQUXGAMX-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
CID 7559288
3-[(4-fluorophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
CID 7240691
3-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7746471
3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazol-4-amine
CID 936287
methyl 4-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
CID 7746474
3-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 91679075
3-[(4-aminophenyl)methylsulfanyl]-5-(2-methylpropyl)-1,2,4-triazol-4-amine
CID 28915638
3-[(4-fluorophenoxy)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 35718851
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-4-amine
CID 95922161
3-benzylsulfanyl-4-ethyl-5-propyl-1,2,4-triazole
CID 8708190
5-[(4-fluorophenyl)methylsulfanyl]-3-N-[(Z)-1-phenylpropylideneamino]-1,2,4-triazole-3,4-diamine
CID 17076188
3-[(4-ethylphenoxy)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 19632068

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine (CID 724534) is 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is CCCc1nnc(SCc2ccc(F)cc2)n1N.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The InChIKey is GNAULPYQUXGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-2-3-11-15-16-12(17(11)14)18-8-9-4-6-10(13)7-5-9/h4-7H,2-3,8,14H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine has a molecular weight of 266.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 724534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).