4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione

C8H9N5S — CID 4774909

IUPAC4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(-c2ccn[nH]2)n1C1CC1
InChIInChI=1S/C8H9N5S/c14-8-12-11-7(6-3-4-9-10-6)13(8)5-1-2-5/h3-5H,1-2H2,(H,9,10)(H,12,14)
InChIKeyRQZUWRZLUFKAQV-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.67
Rot. Bonds2

About 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione

4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 4774909) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
PubChem CID4774909
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(-c2ccn[nH]2)n1C1CC1
InChIInChI=1S/C8H9N5S/c14-8-12-11-7(6-3-4-9-10-6)13(8)5-1-2-5/h3-5H,1-2H2,(H,9,10)(H,12,14)
InChIKeyRQZUWRZLUFKAQV-UHFFFAOYSA-N
XLogP1.67
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione 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 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (CID 4774909) is 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is S=c1[nH]nc(-c2ccn[nH]2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is RQZUWRZLUFKAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c14-8-12-11-7(6-3-4-9-10-6)13(8)5-1-2-5/h3-5H,1-2H2,(H,9,10)(H,12,14).
What are the key properties of 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 207.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 4774909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).