2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol

C10H12N4OS — CID 10823724

IUPAC2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol
SMILESCSc1nnc(-c2ccncc2)n1CCO
InChIInChI=1S/C10H12N4OS/c1-16-10-13-12-9(14(10)6-7-15)8-2-4-11-5-3-8/h2-5,15H,6-7H2,1H3
InChIKeyBFUKEXMCRFPUKA-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.05
Rot. Bonds4

About 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol

2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol (PubChem CID 10823724) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol
PubChem CID10823724
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol
SMILESCSc1nnc(-c2ccncc2)n1CCO
InChIInChI=1S/C10H12N4OS/c1-16-10-13-12-9(14(10)6-7-15)8-2-4-11-5-3-8/h2-5,15H,6-7H2,1H3
InChIKeyBFUKEXMCRFPUKA-UHFFFAOYSA-N
XLogP1.05
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol?
The IUPAC name of 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol (CID 10823724) is 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol?
The canonical SMILES for 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol is CSc1nnc(-c2ccncc2)n1CCO.
What is the InChIKey of 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol?
The InChIKey is BFUKEXMCRFPUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-16-10-13-12-9(14(10)6-7-15)8-2-4-11-5-3-8/h2-5,15H,6-7H2,1H3.
What are the key properties of 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol?
2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol has a molecular weight of 236.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethanol is sourced from PubChem (CID 10823724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).