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

C7H12N4OS — CID 114825995

IUPAC4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCC1CC(c2n[nH]c(=S)n2N)CO1
InChIInChI=1S/C7H12N4OS/c1-4-2-5(3-12-4)6-9-10-7(13)11(6)8/h4-5H,2-3,8H2,1H3,(H,10,13)
InChIKeyWCUTTWVYGHYIAT-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.55
Rot. Bonds1

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

4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 114825995) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
PubChem CID114825995
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCC1CC(c2n[nH]c(=S)n2N)CO1
InChIInChI=1S/C7H12N4OS/c1-4-2-5(3-12-4)6-9-10-7(13)11(6)8/h4-5H,2-3,8H2,1H3,(H,10,13)
InChIKeyWCUTTWVYGHYIAT-UHFFFAOYSA-N
XLogP0.55
TPSA68.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(5-methyloxolan-3-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-cyclopropyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
CID 114826044
4-amino-3-cyclopentyl-1H-1,2,4-triazole-5-thione
CID 15519784
5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826027
5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826023
2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine
CID 114824901
4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 82018063
4-amino-3-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole-5-thione
CID 113433984
8-cyclopropyl-3-(5-methyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791899
[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799449
4-ethyl-3-(3-hydroxycyclobutyl)-1H-1,2,4-triazole-5-thione
CID 115389624
3-cyclopropyl-4-[(4-methylcyclohexyl)methyl]-1H-1,2,4-triazole-5-thione
CID 63244039
3-(1,4-dioxan-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389370

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione (CID 114825995) is 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione is CC1CC(c2n[nH]c(=S)n2N)CO1.
What is the InChIKey of 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is WCUTTWVYGHYIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-4-2-5(3-12-4)6-9-10-7(13)11(6)8/h4-5H,2-3,8H2,1H3,(H,10,13).
What are the key properties of 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione?
4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 200.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 114825995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).