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

C14H12FN5S — CID 932888

IUPAC3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2cccc(F)c2)nnc1-c1cccnc1
InChIInChI=1S/C14H12FN5S/c15-12-5-1-3-10(7-12)9-21-14-19-18-13(20(14)16)11-4-2-6-17-8-11/h1-8H,9,16H2
InChIKeyABXHOSMGPPIZLR-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.49
Rot. Bonds4

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

3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine (PubChem CID 932888) has the molecular formula C14H12FN5S and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
PubChem CID932888
Molecular FormulaC14H12FN5S
Molecular Weight301.35 g/mol
Exact Mass301.08
IUPAC Name3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2cccc(F)c2)nnc1-c1cccnc1
InChIInChI=1S/C14H12FN5S/c15-12-5-1-3-10(7-12)9-21-14-19-18-13(20(14)16)11-4-2-6-17-8-11/h1-8H,9,16H2
InChIKeyABXHOSMGPPIZLR-UHFFFAOYSA-N
XLogP2.49
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methyl-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 937411
N-[5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridin-3-amine
CID 9795779
N-(5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10171940
N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10286315
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
4-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 931757
3-((4-Fluorobenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
CID 936370
4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-YL)pyridine
CID 937714
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
N-(4-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9796249
N-(4-methylphenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9817701
N-(2-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 16757241

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine (CID 932888) is 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine is Nn1c(SCc2cccc(F)c2)nnc1-c1cccnc1.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine?
The InChIKey is ABXHOSMGPPIZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5S/c15-12-5-1-3-10(7-12)9-21-14-19-18-13(20(14)16)11-4-2-6-17-8-11/h1-8H,9,16H2.
What are the key properties of 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine?
3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine has a molecular weight of 301.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 932888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).