5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide

C10H14N4O2S — CID 55212904

IUPAC5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CSc2cnccn2)O1
InChIInChI=1S/C10H14N4O2S/c11-14-10(15)8-2-1-7(16-8)6-17-9-5-12-3-4-13-9/h3-5,7-8H,1-2,6,11H2,(H,14,15)
InChIKeyBZVRECWWGMGXSD-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.11
Rot. Bonds4

About 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide

5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide (PubChem CID 55212904) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
PubChem CID55212904
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CSc2cnccn2)O1
InChIInChI=1S/C10H14N4O2S/c11-14-10(15)8-2-1-7(16-8)6-17-9-5-12-3-4-13-9/h3-5,7-8H,1-2,6,11H2,(H,14,15)
InChIKeyBZVRECWWGMGXSD-UHFFFAOYSA-N
XLogP0.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide (CID 55212904) is 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide is NNC(=O)C1CCC(CSc2cnccn2)O1.
What is the InChIKey of 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
The InChIKey is BZVRECWWGMGXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c11-14-10(15)8-2-1-7(16-8)6-17-9-5-12-3-4-13-9/h3-5,7-8H,1-2,6,11H2,(H,14,15).
What are the key properties of 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide?
5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide has a molecular weight of 254.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazin-2-ylsulfanylmethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 55212904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).