2-propyl-1,2,4-triazolidine-3-thione

C5H11N3S — CID 141008201

IUPAC2-propyl-1,2,4-triazolidine-3-thione
SMILESCCCN1NCNC1=S
InChIInChI=1S/C5H11N3S/c1-2-3-8-5(9)6-4-7-8/h7H,2-4H2,1H3,(H,6,9)
InChIKeyKBFLHOYPGCUQPQ-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.05
Rot. Bonds2

About 2-propyl-1,2,4-triazolidine-3-thione

2-propyl-1,2,4-triazolidine-3-thione (PubChem CID 141008201) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-propyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name2-propyl-1,2,4-triazolidine-3-thione
PubChem CID141008201
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name2-propyl-1,2,4-triazolidine-3-thione
SMILESCCCN1NCNC1=S
InChIInChI=1S/C5H11N3S/c1-2-3-8-5(9)6-4-7-8/h7H,2-4H2,1H3,(H,6,9)
InChIKeyKBFLHOYPGCUQPQ-UHFFFAOYSA-N
XLogP0.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propyl-1,2,4-triazolidine-3-thione with MolForge

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

Launch Full Analysis

Related Compounds

1,2,4-Triazolidine-3-thione, 2,5,5-trimethyl-
CID 3042289
Thiocarbamoylpyrazolidine
CID 15745300
1-Amino-1-butyl-3-methylthiourea
CID 129931107
1-Pyrazolidinecarbothioamide, N-methyl-
CID 5366313
1,4,5-Trimethyl-1,2,4-triazolidine-3-thione
CID 20615651
1-Ethyl-1,2,4-triazolidine-3,5-dithione
CID 23330707
N-(pyrazolidin-1-ylmethyl)methanethioamide
CID 23498688
1,4,5-Trimethyl-1,2,4-triazolidin-1-ium-3-thione
CID 59117908
3-Methyl-1-(methylamino)-1-(2-methylpropyl)thiourea
CID 91028744
1-Pentyl-1,2,4-triazolidine-3,5-dithione
CID 117764725
2-Pentyl-1,2,4-triazolidine-3-thione
CID 117764809
Ethane;5-methyl-1,2,4-triazolidine-3-thione
CID 143300039

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 2-propyl-1,2,4-triazolidine-3-thione (CID 141008201) is 2-propyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 2-propyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 2-propyl-1,2,4-triazolidine-3-thione is CCCN1NCNC1=S.
What is the InChIKey of 2-propyl-1,2,4-triazolidine-3-thione?
The InChIKey is KBFLHOYPGCUQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-2-3-8-5(9)6-4-7-8/h7H,2-4H2,1H3,(H,6,9).
What are the key properties of 2-propyl-1,2,4-triazolidine-3-thione?
2-propyl-1,2,4-triazolidine-3-thione has a molecular weight of 145.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 141008201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).