5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine

C8H9N5S — CID 62476249

IUPAC5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine
SMILESCc1cc(N)cnc1Sc1ncn[nH]1
InChIInChI=1S/C8H9N5S/c1-5-2-6(9)3-10-7(5)14-8-11-4-12-13-8/h2-4H,9H2,1H3,(H,11,12,13)
InChIKeyHIIATIYPDFRXBC-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.24
Rot. Bonds2

About 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine

5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine (PubChem CID 62476249) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine
PubChem CID62476249
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine
SMILESCc1cc(N)cnc1Sc1ncn[nH]1
InChIInChI=1S/C8H9N5S/c1-5-2-6(9)3-10-7(5)14-8-11-4-12-13-8/h2-4H,9H2,1H3,(H,11,12,13)
InChIKeyHIIATIYPDFRXBC-UHFFFAOYSA-N
XLogP1.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine (CID 62476249) is 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine is Cc1cc(N)cnc1Sc1ncn[nH]1.
What is the InChIKey of 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine?
The InChIKey is HIIATIYPDFRXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-5-2-6(9)3-10-7(5)14-8-11-4-12-13-8/h2-4H,9H2,1H3,(H,11,12,13).
What are the key properties of 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine?
5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine has a molecular weight of 207.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 62476249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).