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

C10H12N4OS — CID 104604414

IUPAC(1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncnn2C)cn1
InChIInChI=1S/C10H12N4OS/c1-7(15)9-4-3-8(5-11-9)16-10-12-6-13-14(10)2/h3-7,15H,1-2H3/t7-/m1/s1
InChIKeyMKYUICWHUOWYBF-SSDOTTSWSA-N
MW236.30 g/mol
LogP1.41
Rot. Bonds3

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

(1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol (PubChem CID 104604414) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
PubChem CID104604414
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name(1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncnn2C)cn1
InChIInChI=1S/C10H12N4OS/c1-7(15)9-4-3-8(5-11-9)16-10-12-6-13-14(10)2/h3-7,15H,1-2H3/t7-/m1/s1
InChIKeyMKYUICWHUOWYBF-SSDOTTSWSA-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 (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol with MolForge

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Related Compounds

N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine
CID 104603311
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
CID 83128499
1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 104604418
1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol
CID 83128819
3-[[6-(1-hydroxyethyl)-3-pyridinyl]sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 83129119
1-[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone
CID 104603266
3-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107772342
(1R)-1-[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431911
(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431914
(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 83128395
(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 107783424
(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol
CID 83129622

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol (CID 104604414) is (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol is C[C@@H](O)c1ccc(Sc2ncnn2C)cn1.
What is the InChIKey of (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol?
The InChIKey is MKYUICWHUOWYBF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7(15)9-4-3-8(5-11-9)16-10-12-6-13-14(10)2/h3-7,15H,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol?
(1R)-1-[5-[(2-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 (1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 104604414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).