6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine

C10H14N6S — CID 78990145

IUPAC6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nnc(C)n2C)n1
InChIInChI=1S/C10H14N6S/c1-4-12-8-5-11-6-9(13-8)17-10-15-14-7(2)16(10)3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyWJDXGZUWXHZBNW-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.50
Rot. Bonds4

About 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine (PubChem CID 78990145) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine
PubChem CID78990145
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nnc(C)n2C)n1
InChIInChI=1S/C10H14N6S/c1-4-12-8-5-11-6-9(13-8)17-10-15-14-7(2)16(10)3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyWJDXGZUWXHZBNW-UHFFFAOYSA-N
XLogP1.50
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine (CID 78990145) is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine is CCNc1cncc(Sc2nnc(C)n2C)n1.
What is the InChIKey of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine?
The InChIKey is WJDXGZUWXHZBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-4-12-8-5-11-6-9(13-8)17-10-15-14-7(2)16(10)3/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine?
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 78990145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).