3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide

C9H14N4OS — CID 63590276

IUPAC3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
SMILESCC(CSc1ccc(N)cn1)C(=O)NN
InChIInChI=1S/C9H14N4OS/c1-6(9(14)13-11)5-15-8-3-2-7(10)4-12-8/h2-4,6H,5,10-11H2,1H3,(H,13,14)
InChIKeyLRFVYUCNJMHIRO-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.38
Rot. Bonds4

About 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide

3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide (PubChem CID 63590276) has the molecular formula C9H14N4OS and a molecular weight of 226.31 g/mol. Its IUPAC name is 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
PubChem CID63590276
Molecular FormulaC9H14N4OS
Molecular Weight226.31 g/mol
Exact Mass226.09
IUPAC Name3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
SMILESCC(CSc1ccc(N)cn1)C(=O)NN
InChIInChI=1S/C9H14N4OS/c1-6(9(14)13-11)5-15-8-3-2-7(10)4-12-8/h2-4,6H,5,10-11H2,1H3,(H,13,14)
InChIKeyLRFVYUCNJMHIRO-UHFFFAOYSA-N
XLogP0.38
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.38
H-Bond Donors ≤ 53
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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Related Compounds

2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
6-(2-aminopropylsulfanyl)pyridin-3-amine
CID 102689492
1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol
CID 60885424
3-[(5-amino-2-pyridinyl)sulfanyl]-2,2-dimethylpropanehydrazide
CID 79630811
1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol
CID 63931140
methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
CID 61318239
6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909676
2-methyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanehydrazide
CID 63581560
2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61318641
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide
CID 64560762
ethyl 6-(3-methoxy-2-methyl-3-oxopropyl)sulfanylpyridine-3-carboxylate
CID 66116248
3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
CID 60962124

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide?
The IUPAC name of 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide (CID 63590276) is 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide.
What is the SMILES notation for 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide?
The canonical SMILES for 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide is CC(CSc1ccc(N)cn1)C(=O)NN.
What is the InChIKey of 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide?
The InChIKey is LRFVYUCNJMHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6(9(14)13-11)5-15-8-3-2-7(10)4-12-8/h2-4,6H,5,10-11H2,1H3,(H,13,14).
What are the key properties of 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide?
3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide has a molecular weight of 226.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide is sourced from PubChem (CID 63590276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).