N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C18H14FN5S — CID 143916247

IUPACN-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCSc1cccc(-c2cccc3nc(Nc4ccc(F)nc4)nn23)c1
InChIInChI=1S/C18H14FN5S/c1-25-14-5-2-4-12(10-14)15-6-3-7-17-22-18(23-24(15)17)21-13-8-9-16(19)20-11-13/h2-11H,1H3,(H,21,23)
InChIKeyJQLMANXQQQRLAZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.40
Rot. Bonds4

About N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 143916247) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID143916247
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC NameN-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCSc1cccc(-c2cccc3nc(Nc4ccc(F)nc4)nn23)c1
InChIInChI=1S/C18H14FN5S/c1-25-14-5-2-4-12(10-14)15-6-3-7-17-22-18(23-24(15)17)21-13-8-9-16(19)20-11-13/h2-11H,1H3,(H,21,23)
InChIKeyJQLMANXQQQRLAZ-UHFFFAOYSA-N
XLogP4.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 143916247) is N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CSc1cccc(-c2cccc3nc(Nc4ccc(F)nc4)nn23)c1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JQLMANXQQQRLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c1-25-14-5-2-4-12(10-14)15-6-3-7-17-22-18(23-24(15)17)21-13-8-9-16(19)20-11-13/h2-11H,1H3,(H,21,23).
What are the key properties of N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 351.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 143916247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).