3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine

C9H11N5S — CID 106679130

IUPAC3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
SMILESCn1ccc(CSc2nccnc2N)n1
InChIInChI=1S/C9H11N5S/c1-14-5-2-7(13-14)6-15-9-8(10)11-3-4-12-9/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyQTSCDXDVFZVZIL-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.08
Rot. Bonds3

About 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine

3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106679130) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
PubChem CID106679130
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
SMILESCn1ccc(CSc2nccnc2N)n1
InChIInChI=1S/C9H11N5S/c1-14-5-2-7(13-14)6-15-9-8(10)11-3-4-12-9/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyQTSCDXDVFZVZIL-UHFFFAOYSA-N
XLogP1.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106678525
2-[(1-methylpyrazol-3-yl)methylsulfanyl]aniline
CID 82865720
3,5-difluoro-4-[(1-methylpyrazol-3-yl)methylsulfanyl]aniline
CID 82878022
3-methoxy-4-[(1-methylpyrazol-3-yl)methylsulfanyl]aniline
CID 82866952
2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 106678774
3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine
CID 106679198
(1-methylpyrazol-3-yl)methyl N'-aminocarbamimidothioate
CID 82872071
6-[(1-methylpyrazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 82865808
3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
CID 106679263
2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
3-ethyl-1-methylpyrazole;propane
CID 170573719
3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
CID 106679214

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine (CID 106679130) is 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine is Cn1ccc(CSc2nccnc2N)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is QTSCDXDVFZVZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-14-5-2-7(13-14)6-15-9-8(10)11-3-4-12-9/h2-5H,6H2,1H3,(H2,10,11).
What are the key properties of 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine?
3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 221.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106679130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).