(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride

C5H10ClN3O — CID 138040122

IUPAC(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
SMILESCc1nc([C@H](C)O)n[nH]1.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-3(9)5-6-4(2)7-8-5;/h3,9H,1-2H3,(H,6,7,8);1H/t3-;/m0./s1
InChIKeyJGAUMUPKSNWDFS-DFWYDOINSA-N
MW163.61 g/mol
LogP0.59
Rot. Bonds1

About (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride

(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride (PubChem CID 138040122) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
PubChem CID138040122
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC Name(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
SMILESCc1nc([C@H](C)O)n[nH]1.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-3(9)5-6-4(2)7-8-5;/h3,9H,1-2H3,(H,6,7,8);1H/t3-;/m0./s1
InChIKeyJGAUMUPKSNWDFS-DFWYDOINSA-N
XLogP0.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride?
The IUPAC name of (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride (CID 138040122) is (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride.
What is the SMILES notation for (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride?
The canonical SMILES for (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride is Cc1nc([C@H](C)O)n[nH]1.Cl.
What is the InChIKey of (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride?
The InChIKey is JGAUMUPKSNWDFS-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9N3O.ClH/c1-3(9)5-6-4(2)7-8-5;/h3,9H,1-2H3,(H,6,7,8);1H/t3-;/m0./s1.
What are the key properties of (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride?
(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 138040122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).