1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine

C10H19N5S — CID 141181346

IUPAC1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
SMILESCn1cnnc1SCCCN1CCNCC1
InChIInChI=1S/C10H19N5S/c1-14-9-12-13-10(14)16-8-2-5-15-6-3-11-4-7-15/h9,11H,2-8H2,1H3
InChIKeySWJXEKXQWSXAGL-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.20
Rot. Bonds5

About 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine

1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine (PubChem CID 141181346) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine.

Molecular Properties

Compound Name1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
PubChem CID141181346
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
SMILESCn1cnnc1SCCCN1CCNCC1
InChIInChI=1S/C10H19N5S/c1-14-9-12-13-10(14)16-8-2-5-15-6-3-11-4-7-15/h9,11H,2-8H2,1H3
InChIKeySWJXEKXQWSXAGL-UHFFFAOYSA-N
XLogP0.20
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 79175697
1-(3-methylsulfanylpropyl)piperazine
CID 61057069
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-1-amine
CID 62578296
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-3-amine
CID 106808273
2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
CID 64806394
3-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-4-methyl-1,2,4-triazole
CID 112781675
1-[3-(2,5-dimethylphenyl)sulfanylpropyl]piperazine
CID 117034526
5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine
CID 163468710
1-(3-thiophen-2-ylsulfanylpropyl)piperazine
CID 68783975
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 64533262
[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine
CID 142646076

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine?
The IUPAC name of 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine (CID 141181346) is 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine.
What is the SMILES notation for 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine?
The canonical SMILES for 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine is Cn1cnnc1SCCCN1CCNCC1.
What is the InChIKey of 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine?
The InChIKey is SWJXEKXQWSXAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-14-9-12-13-10(14)16-8-2-5-15-6-3-11-4-7-15/h9,11H,2-8H2,1H3.
What are the key properties of 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine?
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine has a molecular weight of 241.36 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine is sourced from PubChem (CID 141181346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).