2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide

C9H14N4OS — CID 63581272

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide
SMILESCCC(Sc1ccncc1N)C(=O)NN
InChIInChI=1S/C9H14N4OS/c1-2-7(9(14)13-11)15-8-3-4-12-5-6(8)10/h3-5,7H,2,10-11H2,1H3,(H,13,14)
InChIKeyKOAVMDSTFOFRGN-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.52
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide

2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide (PubChem CID 63581272) has the molecular formula C9H14N4OS and a molecular weight of 226.31 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide
PubChem CID63581272
Molecular FormulaC9H14N4OS
Molecular Weight226.31 g/mol
Exact Mass226.09
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide
SMILESCCC(Sc1ccncc1N)C(=O)NN
InChIInChI=1S/C9H14N4OS/c1-2-7(9(14)13-11)15-8-3-4-12-5-6(8)10/h3-5,7H,2,10-11H2,1H3,(H,13,14)
InChIKeyKOAVMDSTFOFRGN-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide (CID 63581272) is 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide is CCC(Sc1ccncc1N)C(=O)NN.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide?
The InChIKey is KOAVMDSTFOFRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-7(9(14)13-11)15-8-3-4-12-5-6(8)10/h3-5,7H,2,10-11H2,1H3,(H,13,14).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide?
2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide has a molecular weight of 226.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide is sourced from PubChem (CID 63581272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).