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

C8H10N6S — CID 80647721

IUPAC6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
SMILESCc1nnc(Sc2cncc(N)n2)n1C
InChIInChI=1S/C8H10N6S/c1-5-12-13-8(14(5)2)15-7-4-10-3-6(9)11-7/h3-4H,1-2H3,(H2,9,11)
InChIKeyUKDZKNVHCDXRSV-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.65
Rot. Bonds2

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

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine (PubChem CID 80647721) has the molecular formula C8H10N6S and a molecular weight of 222.28 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
PubChem CID80647721
Molecular FormulaC8H10N6S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
SMILESCc1nnc(Sc2cncc(N)n2)n1C
InChIInChI=1S/C8H10N6S/c1-5-12-13-8(14(5)2)15-7-4-10-3-6(9)11-7/h3-4H,1-2H3,(H2,9,11)
InChIKeyUKDZKNVHCDXRSV-UHFFFAOYSA-N
XLogP0.65
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.65
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]pyrazin-2-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine (CID 80647721) is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine is Cc1nnc(Sc2cncc(N)n2)n1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
The InChIKey is UKDZKNVHCDXRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S/c1-5-12-13-8(14(5)2)15-7-4-10-3-6(9)11-7/h3-4H,1-2H3,(H2,9,11).
What are the key properties of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine has a molecular weight of 222.28 g/mol, XLogP of 0.65, 2 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]pyrazin-2-amine is sourced from PubChem (CID 80647721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).