N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide

C9H12N4O2S — CID 43299689

IUPACN'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide
SMILESCC(=O)NNC(=O)CSc1ccncc1N
InChIInChI=1S/C9H12N4O2S/c1-6(14)12-13-9(15)5-16-8-2-3-11-4-7(8)10/h2-4H,5,10H2,1H3,(H,12,14)(H,13,15)
InChIKeyBCFKAOMPHULNHB-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.08
Rot. Bonds3

About N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide

N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide (PubChem CID 43299689) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide
PubChem CID43299689
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide
SMILESCC(=O)NNC(=O)CSc1ccncc1N
InChIInChI=1S/C9H12N4O2S/c1-6(14)12-13-9(15)5-16-8-2-3-11-4-7(8)10/h2-4H,5,10H2,1H3,(H,12,14)(H,13,15)
InChIKeyBCFKAOMPHULNHB-UHFFFAOYSA-N
XLogP-0.08
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide (CID 43299689) is N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide is CC(=O)NNC(=O)CSc1ccncc1N.
What is the InChIKey of N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide?
The InChIKey is BCFKAOMPHULNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-6(14)12-13-9(15)5-16-8-2-3-11-4-7(8)10/h2-4H,5,10H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide?
N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide has a molecular weight of 240.29 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[(3-amino-4-pyridinyl)sulfanyl]acetohydrazide is sourced from PubChem (CID 43299689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).