4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile

C9H12N6O3S — CID 79680999

IUPAC4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2cnc(NN)nc2)CCO1
InChIInChI=1S/C9H12N6O3S/c10-3-7-6-15(1-2-18-7)19(16,17)8-4-12-9(14-11)13-5-8/h4-5,7H,1-2,6,11H2,(H,12,13,14)
InChIKeyGFMQQKPXTXEWOT-UHFFFAOYSA-N
MW284.30 g/mol
LogP-1.32
Rot. Bonds3

About 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile

4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile (PubChem CID 79680999) has the molecular formula C9H12N6O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
PubChem CID79680999
Molecular FormulaC9H12N6O3S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC Name4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2cnc(NN)nc2)CCO1
InChIInChI=1S/C9H12N6O3S/c10-3-7-6-15(1-2-18-7)19(16,17)8-4-12-9(14-11)13-5-8/h4-5,7H,1-2,6,11H2,(H,12,13,14)
InChIKeyGFMQQKPXTXEWOT-UHFFFAOYSA-N
XLogP-1.32
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile 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 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile (CID 79680999) is 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile is N#CC1CN(S(=O)(=O)c2cnc(NN)nc2)CCO1.
What is the InChIKey of 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile?
The InChIKey is GFMQQKPXTXEWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3S/c10-3-7-6-15(1-2-18-7)19(16,17)8-4-12-9(14-11)13-5-8/h4-5,7H,1-2,6,11H2,(H,12,13,14).
What are the key properties of 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile?
4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile has a molecular weight of 284.30 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 79680999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).