2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide

C9H17N5OS — CID 83048478

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
SMILESCCCC(Sc1nnc(C)n1C)C(=O)NN
InChIInChI=1S/C9H17N5OS/c1-4-5-7(8(15)11-10)16-9-13-12-6(2)14(9)3/h7H,4-5,10H2,1-3H3,(H,11,15)
InChIKeyAULCATDKCDYFGW-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.37
Rot. Bonds5

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide (PubChem CID 83048478) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
PubChem CID83048478
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
SMILESCCCC(Sc1nnc(C)n1C)C(=O)NN
InChIInChI=1S/C9H17N5OS/c1-4-5-7(8(15)11-10)16-9-13-12-6(2)14(9)3/h7H,4-5,10H2,1-3H3,(H,11,15)
InChIKeyAULCATDKCDYFGW-UHFFFAOYSA-N
XLogP0.37
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide (CID 83048478) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide is CCCC(Sc1nnc(C)n1C)C(=O)NN.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide?
The InChIKey is AULCATDKCDYFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-4-5-7(8(15)11-10)16-9-13-12-6(2)14(9)3/h7H,4-5,10H2,1-3H3,(H,11,15).
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide has a molecular weight of 243.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide is sourced from PubChem (CID 83048478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).