3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide

C8H12N4OS — CID 63582535

IUPAC3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
SMILESCc1ccnc(SCCC(=O)NN)n1
InChIInChI=1S/C8H12N4OS/c1-6-2-4-10-8(11-6)14-5-3-7(13)12-9/h2,4H,3,5,9H2,1H3,(H,12,13)
InChIKeyHBKZSDQMNCOYER-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.26
Rot. Bonds4

About 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide

3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide (PubChem CID 63582535) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
PubChem CID63582535
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
SMILESCc1ccnc(SCCC(=O)NN)n1
InChIInChI=1S/C8H12N4OS/c1-6-2-4-10-8(11-6)14-5-3-7(13)12-9/h2,4H,3,5,9H2,1H3,(H,12,13)
InChIKeyHBKZSDQMNCOYER-UHFFFAOYSA-N
XLogP0.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide?
The IUPAC name of 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide (CID 63582535) is 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide.
What is the SMILES notation for 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide?
The canonical SMILES for 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide is Cc1ccnc(SCCC(=O)NN)n1.
What is the InChIKey of 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide?
The InChIKey is HBKZSDQMNCOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-6-2-4-10-8(11-6)14-5-3-7(13)12-9/h2,4H,3,5,9H2,1H3,(H,12,13).
What are the key properties of 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide?
3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide has a molecular weight of 212.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide is sourced from PubChem (CID 63582535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).