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

C6H12ClN3O — CID 122163926

IUPAC1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
SMILESCCc1nc(C(C)O)n[nH]1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-3-5-7-6(4(2)10)9-8-5;/h4,10H,3H2,1-2H3,(H,7,8,9);1H
InChIKeyYLTZLPMOPGOEPA-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.84
Rot. Bonds2

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

1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride (PubChem CID 122163926) has the molecular formula C6H12ClN3O and a molecular weight of 177.63 g/mol. Its IUPAC name is 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
PubChem CID122163926
Molecular FormulaC6H12ClN3O
Molecular Weight177.63 g/mol
Exact Mass177.07
IUPAC Name1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
SMILESCCc1nc(C(C)O)n[nH]1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-3-5-7-6(4(2)10)9-8-5;/h4,10H,3H2,1-2H3,(H,7,8,9);1H
InChIKeyYLTZLPMOPGOEPA-UHFFFAOYSA-N
XLogP0.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Bis(hydroxymethyl)-1,2,4-triazole
CID 3245555
(5-methyl-1H-1,2,4-triazol-3-yl)methanol
CID 22099238
1-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 61749839
1-[4-Amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol
CID 4355354
1-(4H-1,2,4-Triazol-3-yl)ethan-1-ol
CID 21187528
1-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 126801829
[5-(aminomethyl)-4H-1,2,4-triazol-3-yl]methanol hydrochloride
CID 126817079
(1S)-1-[5-(Aminomethyl)-1H-1,2,4-triazol-3-yl]ethanol;hydrochloride
CID 137935635
(1R)-1-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]ethan-1-ol hydrochloride
CID 137935759
(1R)-1-(5-Methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
CID 137935871
1-(4H-1,2,4-Triazol-3-yl)propan-1-ol hydrochloride
CID 137964058
(1S)-1-(5-Methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
CID 138040122

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride?
The IUPAC name of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride (CID 122163926) is 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride is CCc1nc(C(C)O)n[nH]1.Cl.
What is the InChIKey of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride?
The InChIKey is YLTZLPMOPGOEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-3-5-7-6(4(2)10)9-8-5;/h4,10H,3H2,1-2H3,(H,7,8,9);1H.
What are the key properties of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride?
1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 122163926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).