3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine

C9H11N5OS — CID 106678877

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine
SMILESCCc1nnc(CSc2nccnc2N)o1
InChIInChI=1S/C9H11N5OS/c1-2-6-13-14-7(15-6)5-16-9-8(10)11-3-4-12-9/h3-4H,2,5H2,1H3,(H2,10,11)
InChIKeyPNYKJZUAHHQKOO-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.30
Rot. Bonds4

About 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106678877) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine
PubChem CID106678877
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine
SMILESCCc1nnc(CSc2nccnc2N)o1
InChIInChI=1S/C9H11N5OS/c1-2-6-13-14-7(15-6)5-16-9-8(10)11-3-4-12-9/h3-4H,2,5H2,1H3,(H2,10,11)
InChIKeyPNYKJZUAHHQKOO-UHFFFAOYSA-N
XLogP1.30
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 29179177
2,5-diethyl-1,3,4-oxadiazole
CID 11029848
2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 47143091
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
CID 43300189
3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine
CID 106679346
3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 82840739
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine
CID 106678730
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 37178860
3-decylsulfanylpyrazin-2-amine
CID 106678948
3-octylsulfanylpyrazin-2-amine
CID 106678549
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678763
3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
CID 106679263

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine (CID 106678877) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine is CCc1nnc(CSc2nccnc2N)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is PNYKJZUAHHQKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-2-6-13-14-7(15-6)5-16-9-8(10)11-3-4-12-9/h3-4H,2,5H2,1H3,(H2,10,11).
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 237.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106678877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).