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

C7H14N6OS — CID 63581838

IUPAC4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
SMILESCC(CCC(=O)NN)Sc1nncn1N
InChIInChI=1S/C7H14N6OS/c1-5(2-3-6(14)11-8)15-7-12-10-4-13(7)9/h4-5H,2-3,8-9H2,1H3,(H,11,14)
InChIKeyIBPACPZQKRWUMO-UHFFFAOYSA-N
MW230.30 g/mol
LogP-0.76
Rot. Bonds5

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

4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide (PubChem CID 63581838) has the molecular formula C7H14N6OS and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide.

Molecular Properties

Compound Name4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
PubChem CID63581838
Molecular FormulaC7H14N6OS
Molecular Weight230.30 g/mol
Exact Mass230.09
IUPAC Name4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
SMILESCC(CCC(=O)NN)Sc1nncn1N
InChIInChI=1S/C7H14N6OS/c1-5(2-3-6(14)11-8)15-7-12-10-4-13(7)9/h4-5H,2-3,8-9H2,1H3,(H,11,14)
InChIKeyIBPACPZQKRWUMO-UHFFFAOYSA-N
XLogP-0.76
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide?
The IUPAC name of 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide (CID 63581838) is 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide.
What is the SMILES notation for 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide?
The canonical SMILES for 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide is CC(CCC(=O)NN)Sc1nncn1N.
What is the InChIKey of 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide?
The InChIKey is IBPACPZQKRWUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6OS/c1-5(2-3-6(14)11-8)15-7-12-10-4-13(7)9/h4-5H,2-3,8-9H2,1H3,(H,11,14).
What are the key properties of 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide?
4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide has a molecular weight of 230.30 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide is sourced from PubChem (CID 63581838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).