2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine

C7H12N4S — CID 28915956

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCCN)nc1C
InChIInChI=1S/C7H12N4S/c1-5-6(2)10-11-7(9-5)12-4-3-8/h3-4,8H2,1-2H3
InChIKeyWESHJBXODSBKEQ-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.54
Rot. Bonds3

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine (PubChem CID 28915956) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine
PubChem CID28915956
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCCN)nc1C
InChIInChI=1S/C7H12N4S/c1-5-6(2)10-11-7(9-5)12-4-3-8/h3-4,8H2,1-2H3
InChIKeyWESHJBXODSBKEQ-UHFFFAOYSA-N
XLogP0.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine (CID 28915956) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine is Cc1nnc(SCCN)nc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine?
The InChIKey is WESHJBXODSBKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-5-6(2)10-11-7(9-5)12-4-3-8/h3-4,8H2,1-2H3.
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine has a molecular weight of 184.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]ethanamine is sourced from PubChem (CID 28915956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).