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

C10H15N3OS — CID 114826044

IUPAC4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCC1CC(c2n[nH]c(=S)n2C2CC2)CO1
InChIInChI=1S/C10H15N3OS/c1-6-4-7(5-14-6)9-11-12-10(15)13(9)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,15)
InChIKeyGLIGGQNJUSKECA-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.17
Rot. Bonds2

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

4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 114826044) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
PubChem CID114826044
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCC1CC(c2n[nH]c(=S)n2C2CC2)CO1
InChIInChI=1S/C10H15N3OS/c1-6-4-7(5-14-6)9-11-12-10(15)13(9)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,15)
InChIKeyGLIGGQNJUSKECA-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'}

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Related Compounds

4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
CID 114825995
3,4-dicyclopropyl-1H-1,2,4-triazole-5-thione
CID 4962443
3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 115390269
4-cyclopropyl-3-(3-hydroxycyclobutyl)-1H-1,2,4-triazole-5-thione
CID 115390396
4-cyclopentyl-3-(oxetan-3-yl)-1H-1,2,4-triazole-5-thione
CID 165462872
4-cyclohexyl-3-(2,5-dimethylmorpholin-4-yl)-1H-1,2,4-triazole-5-thione
CID 43645568
4-cyclopropyl-3-methoxy-1H-1,2,4-triazole-5-thione
CID 115390265
tert-butyl (3R)-3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 99808947
tert-butyl 3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 91642978
[(3R)-3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-ethylcyclopentyl)methanone
CID 99581769
4-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione
CID 114594656
5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826027

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione (CID 114826044) is 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione is CC1CC(c2n[nH]c(=S)n2C2CC2)CO1.
What is the InChIKey of 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is GLIGGQNJUSKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6-4-7(5-14-6)9-11-12-10(15)13(9)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione?
4-cyclopropyl-3-(5-methyloxolan-3-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 4-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 114826044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).