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

C7H8N6S — CID 80664204

IUPAC5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
SMILESCn1cnnc1Sc1cnc(N)cn1
InChIInChI=1S/C7H8N6S/c1-13-4-11-12-7(13)14-6-3-9-5(8)2-10-6/h2-4H,1H3,(H2,8,9)
InChIKeyGAYQHLVOGMIPNZ-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.34
Rot. Bonds2

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

5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine (PubChem CID 80664204) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
PubChem CID80664204
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
SMILESCn1cnnc1Sc1cnc(N)cn1
InChIInChI=1S/C7H8N6S/c1-13-4-11-12-7(13)14-6-3-9-5(8)2-10-6/h2-4H,1H3,(H2,8,9)
InChIKeyGAYQHLVOGMIPNZ-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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Related Compounds

4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882973
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyrimidin-4-amine
CID 115915971
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 56761364
5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 60924910
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 43189336
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
CID 83128499
ethane;4-methyl-3-methylsulfanyl-1,2,4-triazole
CID 91546517
5-bromo-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 66320751
(1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 63813692
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 63812777
1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-2-amine
CID 63819294
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine
CID 102988738

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
The IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine (CID 80664204) is 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine is Cn1cnnc1Sc1cnc(N)cn1.
What is the InChIKey of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
The InChIKey is GAYQHLVOGMIPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c1-13-4-11-12-7(13)14-6-3-9-5(8)2-10-6/h2-4H,1H3,(H2,8,9).
What are the key properties of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine?
5-[(4-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 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 80664204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).