4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine

C4H8N3O2S- — CID 174758838

IUPAC4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine
SMILESO=S([O-])NN1C=CNCC1
InChIInChI=1S/C4H9N3O2S/c8-10(9)6-7-3-1-5-2-4-7/h1,3,5-6H,2,4H2,(H,8,9)/p-1
InChIKeyDGNCOUXXVCGHHY-UHFFFAOYSA-M
MW162.19 g/mol
LogP-1.34
Rot. Bonds2

About 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine

4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine (PubChem CID 174758838) has the molecular formula C4H8N3O2S- and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine.

Molecular Properties

Compound Name4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine
PubChem CID174758838
Molecular FormulaC4H8N3O2S-
Molecular Weight162.19 g/mol
Exact Mass162.03
IUPAC Name4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine
SMILESO=S([O-])NN1C=CNCC1
InChIInChI=1S/C4H9N3O2S/c8-10(9)6-7-3-1-5-2-4-7/h1,3,5-6H,2,4H2,(H,8,9)/p-1
InChIKeyDGNCOUXXVCGHHY-UHFFFAOYSA-M
XLogP-1.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydroimidazol-3-ylmethanesulfinate
CID 174805495
4-tert-butyl-2,3-dihydro-1H-pyrazine
CID 59343103
imidazolidine-1-sulfinate
CID 57248704
1-methyl-2-(sulfinatoamino)piperazine;hydrochloride
CID 174552263
piperazin-1-ylmethanesulfinate
CID 57182444
3-nitro-1,2-dihydroimidazole
CID 134824419
1-(sulfinoamino)piperazine
CID 57289052
CID 89392401
CID 89392401
hydron;iron(2+);sulfite
CID 20545645
CID 174493441
CID 174493441
CID 18914755
CID 18914755
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960976

Frequently Asked Questions

What is the IUPAC name of 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine?
The IUPAC name of 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine (CID 174758838) is 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine.
What is the SMILES notation for 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine?
The canonical SMILES for 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine is O=S([O-])NN1C=CNCC1.
What is the InChIKey of 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine?
The InChIKey is DGNCOUXXVCGHHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9N3O2S/c8-10(9)6-7-3-1-5-2-4-7/h1,3,5-6H,2,4H2,(H,8,9)/p-1.
What are the key properties of 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine?
4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine has a molecular weight of 162.19 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfinatoamino)-2,3-dihydro-1H-pyrazine is sourced from PubChem (CID 174758838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).