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

C10H12N4OS — CID 83128499

IUPAC1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Sc2nncn2C)cn1
InChIInChI=1S/C10H12N4OS/c1-7(15)9-4-3-8(5-11-9)16-10-13-12-6-14(10)2/h3-7,15H,1-2H3
InChIKeyHLGWLTMKDUZXSA-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.41
Rot. Bonds3

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

1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol (PubChem CID 83128499) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
PubChem CID83128499
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Sc2nncn2C)cn1
InChIInChI=1S/C10H12N4OS/c1-7(15)9-4-3-8(5-11-9)16-10-13-12-6-14(10)2/h3-7,15H,1-2H3
InChIKeyHLGWLTMKDUZXSA-UHFFFAOYSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol (CID 83128499) is 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol is CC(O)c1ccc(Sc2nncn2C)cn1.
What is the InChIKey of 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol?
The InChIKey is HLGWLTMKDUZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7(15)9-4-3-8(5-11-9)16-10-13-12-6-14(10)2/h3-7,15H,1-2H3.
What are the key properties of 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol?
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol has a molecular weight of 236.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 83128499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).