[4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine

C12H12N6S — CID 62772041

IUPAC[4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C12H12N6S/c13-15-12-11(16-17-19-12)8-18-7-10(6-14-18)9-4-2-1-3-5-9/h1-7,15H,8,13H2
InChIKeyLGJDAZNLEIGEIZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.74
Rot. Bonds4

About [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine

[4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62772041) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62772041
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name[4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C12H12N6S/c13-15-12-11(16-17-19-12)8-18-7-10(6-14-18)9-4-2-1-3-5-9/h1-7,15H,8,13H2
InChIKeyLGJDAZNLEIGEIZ-UHFFFAOYSA-N
XLogP1.74
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine (CID 62772041) is [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine is NNc1snnc1Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is LGJDAZNLEIGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c13-15-12-11(16-17-19-12)8-18-7-10(6-14-18)9-4-2-1-3-5-9/h1-7,15H,8,13H2.
What are the key properties of [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine?
[4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 272.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62772041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).