N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H10N8S — CID 80882673

IUPACN-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ccccn2)nc(-n2cncn2)n1
InChIInChI=1S/C11H10N8S/c1-12-9-16-10(19-7-13-6-15-19)18-11(17-9)20-8-4-2-3-5-14-8/h2-7H,1H3,(H,12,16,17,18)
InChIKeyFECRWYBNHFUCED-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.04
Rot. Bonds4

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

N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80882673) has the molecular formula C11H10N8S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80882673
Molecular FormulaC11H10N8S
Molecular Weight286.32 g/mol
Exact Mass286.07
IUPAC NameN-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ccccn2)nc(-n2cncn2)n1
InChIInChI=1S/C11H10N8S/c1-12-9-16-10(19-7-13-6-15-19)18-11(17-9)20-8-4-2-3-5-14-8/h2-7H,1H3,(H,12,16,17,18)
InChIKeyFECRWYBNHFUCED-UHFFFAOYSA-N
XLogP1.04
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80882673) is N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(Sc2ccccn2)nc(-n2cncn2)n1.
What is the InChIKey of N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FECRWYBNHFUCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8S/c1-12-9-16-10(19-7-13-6-15-19)18-11(17-9)20-8-4-2-3-5-14-8/h2-7H,1H3,(H,12,16,17,18).
What are the key properties of N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 286.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80882673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).