4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one

C10H11N5OS — CID 7161974

IUPAC4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one
SMILESCc1nnc(SCc2ccccn2)n(N)c1=O
InChIInChI=1S/C10H11N5OS/c1-7-9(16)15(11)10(14-13-7)17-6-8-4-2-3-5-12-8/h2-5H,6,11H2,1H3
InChIKeyBZWYWTANUKIEGV-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.35
Rot. Bonds3

About 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one

4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one (PubChem CID 7161974) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one
PubChem CID7161974
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one
SMILESCc1nnc(SCc2ccccn2)n(N)c1=O
InChIInChI=1S/C10H11N5OS/c1-7-9(16)15(11)10(14-13-7)17-6-8-4-2-3-5-12-8/h2-5H,6,11H2,1H3
InChIKeyBZWYWTANUKIEGV-UHFFFAOYSA-N
XLogP0.35
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one (CID 7161974) is 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one is Cc1nnc(SCc2ccccn2)n(N)c1=O.
What is the InChIKey of 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one?
The InChIKey is BZWYWTANUKIEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-7-9(16)15(11)10(14-13-7)17-6-8-4-2-3-5-12-8/h2-5H,6,11H2,1H3.
What are the key properties of 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one?
4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one has a molecular weight of 249.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-5-one is sourced from PubChem (CID 7161974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).