N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

C8H13N5O2S — CID 9379480

IUPACN'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESCCn1cnnc1SCC(=O)NNC(C)=O
InChIInChI=1S/C8H13N5O2S/c1-3-13-5-9-12-8(13)16-4-7(15)11-10-6(2)14/h5H,3-4H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyFIPGASRVCPIZFI-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.44
Rot. Bonds4

About N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (PubChem CID 9379480) has the molecular formula C8H13N5O2S and a molecular weight of 243.29 g/mol. Its IUPAC name is N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
PubChem CID9379480
Molecular FormulaC8H13N5O2S
Molecular Weight243.29 g/mol
Exact Mass243.08
IUPAC NameN'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESCCn1cnnc1SCC(=O)NNC(C)=O
InChIInChI=1S/C8H13N5O2S/c1-3-13-5-9-12-8(13)16-4-7(15)11-10-6(2)14/h5H,3-4H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyFIPGASRVCPIZFI-UHFFFAOYSA-N
XLogP-0.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (CID 9379480) is N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is CCn1cnnc1SCC(=O)NNC(C)=O.
What is the InChIKey of N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The InChIKey is FIPGASRVCPIZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S/c1-3-13-5-9-12-8(13)16-4-7(15)11-10-6(2)14/h5H,3-4H2,1-2H3,(H,10,14)(H,11,15).
What are the key properties of N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide has a molecular weight of 243.29 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 9379480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).