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

C14H12FN5S — CID 10286315

IUPACN-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine
SMILESFc1ccccc1CSc1n[nH]c(Nc2cccnc2)n1
InChIInChI=1S/C14H12FN5S/c15-12-6-2-1-4-10(12)9-21-14-18-13(19-20-14)17-11-5-3-7-16-8-11/h1-8H,9H2,(H2,17,18,19,20)
InChIKeyXUUJLHGOJDTMAJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.37
Rot. Bonds5

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

N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine (PubChem CID 10286315) has the molecular formula C14H12FN5S and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine
PubChem CID10286315
Molecular FormulaC14H12FN5S
Molecular Weight301.35 g/mol
Exact Mass301.08
IUPAC NameN-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine
SMILESFc1ccccc1CSc1n[nH]c(Nc2cccnc2)n1
InChIInChI=1S/C14H12FN5S/c15-12-6-2-1-4-10(12)9-21-14-18-13(19-20-14)17-11-5-3-7-16-8-11/h1-8H,9H2,(H2,17,18,19,20)
InChIKeyXUUJLHGOJDTMAJ-UHFFFAOYSA-N
XLogP3.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The IUPAC name of N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine (CID 10286315) is N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine is Fc1ccccc1CSc1n[nH]c(Nc2cccnc2)n1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The InChIKey is XUUJLHGOJDTMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5S/c15-12-6-2-1-4-10(12)9-21-14-18-13(19-20-14)17-11-5-3-7-16-8-11/h1-8H,9H2,(H2,17,18,19,20).
What are the key properties of N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine has a molecular weight of 301.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 10286315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).