(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide

C5H9N5OS — CID 27059893

IUPAC(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide
SMILESC[C@@H](Sc1ncn[nH]1)C(=O)NN
InChIInChI=1S/C5H9N5OS/c1-3(4(11)9-6)12-5-7-2-8-10-5/h2-3H,6H2,1H3,(H,9,11)(H,7,8,10)/t3-/m1/s1
InChIKeyGPXHBLLOPIRKFX-GSVOUGTGSA-N
MW187.23 g/mol
LogP-0.72
Rot. Bonds3

About (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide

(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide (PubChem CID 27059893) has the molecular formula C5H9N5OS and a molecular weight of 187.23 g/mol. Its IUPAC name is (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide
PubChem CID27059893
Molecular FormulaC5H9N5OS
Molecular Weight187.23 g/mol
Exact Mass187.05
IUPAC Name(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide
SMILESC[C@@H](Sc1ncn[nH]1)C(=O)NN
InChIInChI=1S/C5H9N5OS/c1-3(4(11)9-6)12-5-7-2-8-10-5/h2-3H,6H2,1H3,(H,9,11)(H,7,8,10)/t3-/m1/s1
InChIKeyGPXHBLLOPIRKFX-GSVOUGTGSA-N
XLogP-0.72
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 5-0.72
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 (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide?
The IUPAC name of (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide (CID 27059893) is (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide.
What is the SMILES notation for (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide?
The canonical SMILES for (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide is C[C@@H](Sc1ncn[nH]1)C(=O)NN.
What is the InChIKey of (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide?
The InChIKey is GPXHBLLOPIRKFX-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9N5OS/c1-3(4(11)9-6)12-5-7-2-8-10-5/h2-3H,6H2,1H3,(H,9,11)(H,7,8,10)/t3-/m1/s1.
What are the key properties of (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide?
(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide has a molecular weight of 187.23 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide is sourced from PubChem (CID 27059893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).