[5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C10H15N7O2S — CID 82702320

IUPAC[5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCc1nn(Cc2nnc(NN)s2)c(CC)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N7O2S/c1-3-6-9(17(18)19)7(4-2)16(15-6)5-8-13-14-10(12-11)20-8/h3-5,11H2,1-2H3,(H,12,14)
InChIKeyWVBRAWCAPWRXTP-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.10
Rot. Bonds6

About [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 82702320) has the molecular formula C10H15N7O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID82702320
Molecular FormulaC10H15N7O2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name[5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCCc1nn(Cc2nnc(NN)s2)c(CC)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N7O2S/c1-3-6-9(17(18)19)7(4-2)16(15-6)5-8-13-14-10(12-11)20-8/h3-5,11H2,1-2H3,(H,12,14)
InChIKeyWVBRAWCAPWRXTP-UHFFFAOYSA-N
XLogP1.10
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 82702320) is [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is CCc1nn(Cc2nnc(NN)s2)c(CC)c1[N+](=O)[O-].
What is the InChIKey of [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is WVBRAWCAPWRXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2S/c1-3-6-9(17(18)19)7(4-2)16(15-6)5-8-13-14-10(12-11)20-8/h3-5,11H2,1-2H3,(H,12,14).
What are the key properties of [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 297.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 82702320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).