3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione

C10H20N4S — CID 43424322

IUPAC3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione
SMILESCCCN(CCC)c1n[nH]c(=S)n1CC
InChIInChI=1S/C10H20N4S/c1-4-7-13(8-5-2)9-11-12-10(15)14(9)6-3/h4-8H2,1-3H3,(H,12,15)
InChIKeyGPCSXWAQRIBFLJ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.59
Rot. Bonds6

About 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione

3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione (PubChem CID 43424322) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione
PubChem CID43424322
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione
SMILESCCCN(CCC)c1n[nH]c(=S)n1CC
InChIInChI=1S/C10H20N4S/c1-4-7-13(8-5-2)9-11-12-10(15)14(9)6-3/h4-8H2,1-3H3,(H,12,15)
InChIKeyGPCSXWAQRIBFLJ-UHFFFAOYSA-N
XLogP2.59
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.59
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-ethyl-3-[ethyl(propyl)amino]-1H-1,2,4-triazole-5-thione
CID 43645620
4-ethyl-3-[propyl(2,2,2-trifluoroethyl)amino]-1H-1,2,4-triazole-5-thione
CID 55008735
3-[butyl(methyl)amino]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 16767876
3-[bis(2-methoxyethyl)amino]-4-propyl-1H-1,2,4-triazole-5-thione
CID 61418643
4-ethyl-3-[methyl-[(3-methylphenyl)methyl]amino]-1H-1,2,4-triazole-5-thione
CID 61411389
3-[ethyl(propyl)amino]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 43645621
4-ethyl-3-[2-methylpropyl(pentan-3-yl)amino]-1H-1,2,4-triazole-5-thione
CID 79483402
3-[cyclohexyl(ethyl)amino]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 43645509
3-bromo-4-ethyl-1H-1,2,4-triazole-5-thione
CID 163359565
4-ethyl-3-[methyl(2-pyridin-2-ylethyl)amino]-1H-1,2,4-triazole-5-thione
CID 43645612
3-(dimethylamino)-4-[2-(dimethylamino)ethyl]-1H-1,2,4-triazole-5-thione
CID 16768189
4-ethyl-3-[methyl-(2-methylcyclohexyl)amino]-1H-1,2,4-triazole-5-thione
CID 55004947

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione (CID 43424322) is 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione is CCCN(CCC)c1n[nH]c(=S)n1CC.
What is the InChIKey of 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione?
The InChIKey is GPCSXWAQRIBFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-4-7-13(8-5-2)9-11-12-10(15)14(9)6-3/h4-8H2,1-3H3,(H,12,15).
What are the key properties of 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione?
3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione has a molecular weight of 228.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 43424322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).