6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine

C8H10ClN3O2S — CID 47370360

IUPAC6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine
SMILESO=S1(=O)CCC(Nc2cncc(Cl)n2)C1
InChIInChI=1S/C8H10ClN3O2S/c9-7-3-10-4-8(12-7)11-6-1-2-15(13,14)5-6/h3-4,6H,1-2,5H2,(H,11,12)
InChIKeySMBGQOJHLSBPAT-UHFFFAOYSA-N
MW247.71 g/mol
LogP0.73
Rot. Bonds2

About 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine

6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine (PubChem CID 47370360) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine
PubChem CID47370360
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine
SMILESO=S1(=O)CCC(Nc2cncc(Cl)n2)C1
InChIInChI=1S/C8H10ClN3O2S/c9-7-3-10-4-8(12-7)11-6-1-2-15(13,14)5-6/h3-4,6H,1-2,5H2,(H,11,12)
InChIKeySMBGQOJHLSBPAT-UHFFFAOYSA-N
XLogP0.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine (CID 47370360) is 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine is O=S1(=O)CCC(Nc2cncc(Cl)n2)C1.
What is the InChIKey of 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine?
The InChIKey is SMBGQOJHLSBPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c9-7-3-10-4-8(12-7)11-6-1-2-15(13,14)5-6/h3-4,6H,1-2,5H2,(H,11,12).
What are the key properties of 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine?
6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine has a molecular weight of 247.71 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1-dioxothiolan-3-yl)pyrazin-2-amine is sourced from PubChem (CID 47370360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).