3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine

C9H17N5S — CID 62357559

IUPAC3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCCC1CCCNC1
InChIInChI=1S/C9H17N5S/c10-14-7-12-13-9(14)15-5-3-8-2-1-4-11-6-8/h7-8,11H,1-6,10H2
InChIKeyFILBHPRMIMZAPO-UHFFFAOYSA-N
MW227.34 g/mol
LogP0.47
Rot. Bonds4

About 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine

3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 62357559) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID62357559
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCCC1CCCNC1
InChIInChI=1S/C9H17N5S/c10-14-7-12-13-9(14)15-5-3-8-2-1-4-11-6-8/h7-8,11H,1-6,10H2
InChIKeyFILBHPRMIMZAPO-UHFFFAOYSA-N
XLogP0.47
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 62371655
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine
CID 62357887
3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62355846
3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine
CID 63120213
3-[2-(2-methylphenyl)sulfanylethyl]piperidine
CID 62357221
5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline
CID 62358057
3-(2-piperidin-3-ylethylsulfanyl)propan-1-ol
CID 66126809
2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole
CID 62358217
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214
3-(tetrazol-1-ylmethyl)piperidine
CID 82512096

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine (CID 62357559) is 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine is Nn1cnnc1SCCC1CCCNC1.
What is the InChIKey of 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is FILBHPRMIMZAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c10-14-7-12-13-9(14)15-5-3-8-2-1-4-11-6-8/h7-8,11H,1-6,10H2.
What are the key properties of 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine?
3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 227.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 62357559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).