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

C10H15N3OS — CID 43610456

IUPAC3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(C2CC2)n1C1CCOCC1
InChIInChI=1S/C10H15N3OS/c15-10-12-11-9(7-1-2-7)13(10)8-3-5-14-6-4-8/h7-8H,1-6H2,(H,12,15)
InChIKeyJABGBJZZMCTYNI-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.17
Rot. Bonds2

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

3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 43610456) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione
PubChem CID43610456
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(C2CC2)n1C1CCOCC1
InChIInChI=1S/C10H15N3OS/c15-10-12-11-9(7-1-2-7)13(10)8-3-5-14-6-4-8/h7-8H,1-6H2,(H,12,15)
InChIKeyJABGBJZZMCTYNI-UHFFFAOYSA-N
XLogP2.17
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-4-(oxan-4-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

Related Compounds

4-(oxan-4-yl)-3-propyl-1H-1,2,4-triazole-5-thione
CID 43610454
3-methyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione
CID 43610457
3-ethyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione
CID 43610458
4-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 43610459
3-cyclopropyl-4-(oxan-3-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 61869358
3-cyclopropyl-4-(3-methoxy-2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 61960465
3-cyclopropyl-4-(oxolan-3-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 62824006
3-cyclopropyl-4-(oxan-3-yl)-1H-1,2,4-triazole-5-thione
CID 63363330
3-ethyl-4-(oxan-3-yl)-1H-1,2,4-triazole-5-thione
CID 63363376
4-(oxan-3-yl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 63363377
4-(oxan-4-ylmethyl)-3-propyl-1H-1,2,4-triazole-5-thione
CID 63712635
3-ethyl-4-(oxan-4-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 63712978

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione (CID 43610456) is 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione is S=c1[nH]nc(C2CC2)n1C1CCOCC1.
What is the InChIKey of 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is JABGBJZZMCTYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c15-10-12-11-9(7-1-2-7)13(10)8-3-5-14-6-4-8/h7-8H,1-6H2,(H,12,15).
What are the key properties of 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione?
3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 225.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(oxan-4-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 43610456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).