2-methyl-5-[(sulfinatoamino)methyl]pyrazine

C6H8N3O2S- — CID 68551055

IUPAC2-methyl-5-[(sulfinatoamino)methyl]pyrazine
SMILESCc1cnc(CNS(=O)[O-])cn1
InChIInChI=1S/C6H9N3O2S/c1-5-2-8-6(3-7-5)4-9-12(10)11/h2-3,9H,4H2,1H3,(H,10,11)/p-1
InChIKeyYXNMHKQPZFAUFX-UHFFFAOYSA-M
MW186.22 g/mol
LogP-0.33
Rot. Bonds3

About 2-methyl-5-[(sulfinatoamino)methyl]pyrazine

2-methyl-5-[(sulfinatoamino)methyl]pyrazine (PubChem CID 68551055) has the molecular formula C6H8N3O2S- and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-methyl-5-[(sulfinatoamino)methyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[(sulfinatoamino)methyl]pyrazine
PubChem CID68551055
Molecular FormulaC6H8N3O2S-
Molecular Weight186.22 g/mol
Exact Mass186.03
IUPAC Name2-methyl-5-[(sulfinatoamino)methyl]pyrazine
SMILESCc1cnc(CNS(=O)[O-])cn1
InChIInChI=1S/C6H9N3O2S/c1-5-2-8-6(3-7-5)4-9-12(10)11/h2-3,9H,4H2,1H3,(H,10,11)/p-1
InChIKeyYXNMHKQPZFAUFX-UHFFFAOYSA-M
XLogP-0.33
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(sulfinatoamino)methyl]pyrazine?
The IUPAC name of 2-methyl-5-[(sulfinatoamino)methyl]pyrazine (CID 68551055) is 2-methyl-5-[(sulfinatoamino)methyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[(sulfinatoamino)methyl]pyrazine?
The canonical SMILES for 2-methyl-5-[(sulfinatoamino)methyl]pyrazine is Cc1cnc(CNS(=O)[O-])cn1.
What is the InChIKey of 2-methyl-5-[(sulfinatoamino)methyl]pyrazine?
The InChIKey is YXNMHKQPZFAUFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9N3O2S/c1-5-2-8-6(3-7-5)4-9-12(10)11/h2-3,9H,4H2,1H3,(H,10,11)/p-1.
What are the key properties of 2-methyl-5-[(sulfinatoamino)methyl]pyrazine?
2-methyl-5-[(sulfinatoamino)methyl]pyrazine has a molecular weight of 186.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(sulfinatoamino)methyl]pyrazine is sourced from PubChem (CID 68551055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).