[5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine

C5H6N6S — CID 137145604

IUPAC[5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine
SMILESNNc1nsc(-c2cn[nH]c2)n1
InChIInChI=1S/C5H6N6S/c6-10-5-9-4(12-11-5)3-1-7-8-2-3/h1-2H,6H2,(H,7,8)(H,10,11)
InChIKeyNWQMBJZGYOIWGM-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.21
Rot. Bonds2

About [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine

[5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine (PubChem CID 137145604) has the molecular formula C5H6N6S and a molecular weight of 182.21 g/mol. Its IUPAC name is [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine
PubChem CID137145604
Molecular FormulaC5H6N6S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name[5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine
SMILESNNc1nsc(-c2cn[nH]c2)n1
InChIInChI=1S/C5H6N6S/c6-10-5-9-4(12-11-5)3-1-7-8-2-3/h1-2H,6H2,(H,7,8)(H,10,11)
InChIKeyNWQMBJZGYOIWGM-UHFFFAOYSA-N
XLogP0.21
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine?
The IUPAC name of [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine (CID 137145604) is [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine.
What is the SMILES notation for [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine?
The canonical SMILES for [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine is NNc1nsc(-c2cn[nH]c2)n1.
What is the InChIKey of [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine?
The InChIKey is NWQMBJZGYOIWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S/c6-10-5-9-4(12-11-5)3-1-7-8-2-3/h1-2H,6H2,(H,7,8)(H,10,11).
What are the key properties of [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine?
[5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine has a molecular weight of 182.21 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-3-yl]hydrazine is sourced from PubChem (CID 137145604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).