[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine

C14H19FN4S — CID 105371925

IUPAC[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cc(F)ccc1C
InChIInChI=1S/C14H19FN4S/c1-3-6-19-13(8-16)17-18-14(19)20-9-11-7-12(15)5-4-10(11)2/h4-5,7H,3,6,8-9,16H2,1-2H3
InChIKeyMRJUQAILAWLSOL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.89
Rot. Bonds6

About [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine

[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 105371925) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID105371925
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC Name[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cc(F)ccc1C
InChIInChI=1S/C14H19FN4S/c1-3-6-19-13(8-16)17-18-14(19)20-9-11-7-12(15)5-4-10(11)2/h4-5,7H,3,6,8-9,16H2,1-2H3
InChIKeyMRJUQAILAWLSOL-UHFFFAOYSA-N
XLogP2.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[5-[(3-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314009
[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313774
[5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313830
[5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 79267356
[5-[(1-ethylpyrazol-4-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 55205251
[5-[(5-chloro-2-fluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 103046802
[5-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314052
3-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole
CID 19716666
3-benzyl-5-[(3-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole
CID 126113371
[5-[(5-fluoro-2-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315622
[5-(2-phenylsulfanylethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 79222517
[5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313782

Frequently Asked Questions

What is the IUPAC name of [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 105371925) is [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1SCc1cc(F)ccc1C.
What is the InChIKey of [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MRJUQAILAWLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-3-6-19-13(8-16)17-18-14(19)20-9-11-7-12(15)5-4-10(11)2/h4-5,7H,3,6,8-9,16H2,1-2H3.
What are the key properties of [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 294.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 105371925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).