3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine

C7H8N6S — CID 102989027

IUPAC3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
SMILESCn1ncnc1Sc1nccnc1N
InChIInChI=1S/C7H8N6S/c1-13-7(11-4-12-13)14-6-5(8)9-2-3-10-6/h2-4H,1H3,(H2,8,9)
InChIKeyQUKXWKWCIPRHJK-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.34
Rot. Bonds2

About 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine

3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine (PubChem CID 102989027) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
PubChem CID102989027
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
SMILESCn1ncnc1Sc1nccnc1N
InChIInChI=1S/C7H8N6S/c1-13-7(11-4-12-13)14-6-5(8)9-2-3-10-6/h2-4H,1H3,(H2,8,9)
InChIKeyQUKXWKWCIPRHJK-UHFFFAOYSA-N
XLogP0.34
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine (CID 102989027) is 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine is Cn1ncnc1Sc1nccnc1N.
What is the InChIKey of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
The InChIKey is QUKXWKWCIPRHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c1-13-7(11-4-12-13)14-6-5(8)9-2-3-10-6/h2-4H,1H3,(H2,8,9).
What are the key properties of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine has a molecular weight of 208.25 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 102989027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).