2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol

C12H13N3OS — CID 106678826

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol
SMILESNc1nccnc1SCC(O)c1ccccc1
InChIInChI=1S/C12H13N3OS/c13-11-12(15-7-6-14-11)17-8-10(16)9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H2,13,14)
InChIKeyGOIIVIJCIPLQQS-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.88
Rot. Bonds4

About 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol

2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol (PubChem CID 106678826) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol
PubChem CID106678826
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol
SMILESNc1nccnc1SCC(O)c1ccccc1
InChIInChI=1S/C12H13N3OS/c13-11-12(15-7-6-14-11)17-8-10(16)9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H2,13,14)
InChIKeyGOIIVIJCIPLQQS-UHFFFAOYSA-N
XLogP1.88
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
CID 106679150
3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine
CID 106678642
2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
1-(3-aminophenyl)-2-pyridin-2-ylsulfanylethanol
CID 62269524
(1R)-2-(5-bromopyrimidin-2-yl)sulfanyl-1-phenylethanol
CID 95186832
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol
CID 60883938
1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol
CID 66144443
2-amino-1-phenylethanol;ethane
CID 91425169
3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
CID 106679214
1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol
CID 55247740

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol (CID 106678826) is 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol is Nc1nccnc1SCC(O)c1ccccc1.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol?
The InChIKey is GOIIVIJCIPLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-11-12(15-7-6-14-11)17-8-10(16)9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H2,13,14).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol?
2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol has a molecular weight of 247.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol is sourced from PubChem (CID 106678826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).