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

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Related Compounds

3-(5-Methylsulfanyl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 53877064
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 178624027
2-(2-Methyl-1,2,4-triazol-3-yl)-1-pyridin-2-ylethanol
CID 65600142
2-(2-Ethyl-1,2,4-triazol-3-yl)-1-pyridin-2-ylethanol
CID 65610722
2-(2-Propyl-1,2,4-triazol-3-yl)-1-pyridin-2-ylethanol
CID 65610723
1-[2-(1-Methyltetrazol-5-yl)sulfanyl-4-pyridinyl]ethanol
CID 80329779
(1R)-1-[2-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]ethanol
CID 80329861
(1S)-1-[2-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]ethanol
CID 80329862
1-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanol
CID 80330534
(1R)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanol
CID 80330535
(1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanol
CID 80330620
1-[2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanol
CID 80330634

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).