3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine

C11H19N5S — CID 106446429

IUPAC3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine
SMILESCN1CCSCC1C(NN)c1cnccc1N
InChIInChI=1S/C11H19N5S/c1-16-4-5-17-7-10(16)11(15-13)8-6-14-3-2-9(8)12/h2-3,6,10-11,15H,4-5,7,13H2,1H3,(H2,12,14)
InChIKeyCFRGILCYSFSUCU-UHFFFAOYSA-N
MW253.38 g/mol
LogP0.22
Rot. Bonds3

About 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine

3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine (PubChem CID 106446429) has the molecular formula C11H19N5S and a molecular weight of 253.38 g/mol. Its IUPAC name is 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine
PubChem CID106446429
Molecular FormulaC11H19N5S
Molecular Weight253.38 g/mol
Exact Mass253.14
IUPAC Name3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine
SMILESCN1CCSCC1C(NN)c1cnccc1N
InChIInChI=1S/C11H19N5S/c1-16-4-5-17-7-10(16)11(15-13)8-6-14-3-2-9(8)12/h2-3,6,10-11,15H,4-5,7,13H2,1H3,(H2,12,14)
InChIKeyCFRGILCYSFSUCU-UHFFFAOYSA-N
XLogP0.22
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine (CID 106446429) is 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine is CN1CCSCC1C(NN)c1cnccc1N.
What is the InChIKey of 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine?
The InChIKey is CFRGILCYSFSUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-16-4-5-17-7-10(16)11(15-13)8-6-14-3-2-9(8)12/h2-3,6,10-11,15H,4-5,7,13H2,1H3,(H2,12,14).
What are the key properties of 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine?
3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine has a molecular weight of 253.38 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 106446429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).