2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol

C10H18N4OS — CID 16677918

IUPAC2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
SMILESCn1c(SCCO)nnc1C1CCNCC1
InChIInChI=1S/C10H18N4OS/c1-14-9(8-2-4-11-5-3-8)12-13-10(14)16-7-6-15/h8,11,15H,2-7H2,1H3
InChIKeyOZXGDYCZWXTCFN-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.37
Rot. Bonds4

About 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol

2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol (PubChem CID 16677918) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
PubChem CID16677918
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
SMILESCn1c(SCCO)nnc1C1CCNCC1
InChIInChI=1S/C10H18N4OS/c1-14-9(8-2-4-11-5-3-8)12-13-10(14)16-7-6-15/h8,11,15H,2-7H2,1H3
InChIKeyOZXGDYCZWXTCFN-UHFFFAOYSA-N
XLogP0.37
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol (CID 16677918) is 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol is Cn1c(SCCO)nnc1C1CCNCC1.
What is the InChIKey of 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The InChIKey is OZXGDYCZWXTCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-14-9(8-2-4-11-5-3-8)12-13-10(14)16-7-6-15/h8,11,15H,2-7H2,1H3.
What are the key properties of 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol?
2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol has a molecular weight of 242.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol is sourced from PubChem (CID 16677918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).