6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H10N4S — CID 145061733

IUPAC6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2ccc(Sc3ccccc3)cn2n1
InChIInChI=1S/C12H10N4S/c13-12-14-11-7-6-10(8-16(11)15-12)17-9-4-2-1-3-5-9/h1-8H,(H2,13,15)
InChIKeyYGKQSIBZRSGBEA-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.46
Rot. Bonds2

About 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 145061733) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID145061733
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2ccc(Sc3ccccc3)cn2n1
InChIInChI=1S/C12H10N4S/c13-12-14-11-7-6-10(8-16(11)15-12)17-9-4-2-1-3-5-9/h1-8H,(H2,13,15)
InChIKeyYGKQSIBZRSGBEA-UHFFFAOYSA-N
XLogP2.46
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 145061733) is 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2ccc(Sc3ccccc3)cn2n1.
What is the InChIKey of 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YGKQSIBZRSGBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-12-14-11-7-6-10(8-16(11)15-12)17-9-4-2-1-3-5-9/h1-8H,(H2,13,15).
What are the key properties of 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 242.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 145061733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).