4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione

C11H21N5S — CID 79318804

IUPAC4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione
SMILESCCn1c(N(C)CC2CCCN2C)n[nH]c1=S
InChIInChI=1S/C11H21N5S/c1-4-16-10(12-13-11(16)17)15(3)8-9-6-5-7-14(9)2/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyXGWHAGFUVSIDLJ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.49
Rot. Bonds4

About 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione

4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione (PubChem CID 79318804) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione
PubChem CID79318804
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione
SMILESCCn1c(N(C)CC2CCCN2C)n[nH]c1=S
InChIInChI=1S/C11H21N5S/c1-4-16-10(12-13-11(16)17)15(3)8-9-6-5-7-14(9)2/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyXGWHAGFUVSIDLJ-UHFFFAOYSA-N
XLogP1.49
TPSA40.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-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-cyclopentyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1H-1,2,4-triazole-5-thione
CID 79311158
3-[cyclohexyl(ethyl)amino]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 43645509
3-[butyl(methyl)amino]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 16767876
4-ethyl-3-[methyl-(2-methylcyclohexyl)amino]-1H-1,2,4-triazole-5-thione
CID 55004947
4-ethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1H-1,2,4-triazole-5-thione
CID 81061862
3-(dipropylamino)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 43424322
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 80509123
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile
CID 80509898
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione (CID 79318804) is 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione is CCn1c(N(C)CC2CCCN2C)n[nH]c1=S.
What is the InChIKey of 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione?
The InChIKey is XGWHAGFUVSIDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-4-16-10(12-13-11(16)17)15(3)8-9-6-5-7-14(9)2/h9H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione?
4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione has a molecular weight of 255.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 79318804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).