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

C4H8ClN3O — CID 126801829

IUPAC1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride
SMILESCC(O)c1ncn[nH]1.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-3(8)4-5-2-6-7-4;/h2-3,8H,1H3,(H,5,6,7);1H
InChIKeySZLCHAKTKBLJGC-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.28
Rot. Bonds1

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

1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride (PubChem CID 126801829) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride
PubChem CID126801829
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride
SMILESCC(O)c1ncn[nH]1.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-3(8)4-5-2-6-7-4;/h2-3,8H,1H3,(H,5,6,7);1H
InChIKeySZLCHAKTKBLJGC-UHFFFAOYSA-N
XLogP0.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-hydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]phosphonic acid
CID 10058842
(1H-1,2,4-triazol-3-yl)methanol
CID 424449
5-(Methoxymethyl)-1H-1,2,4-triazole
CID 21443942
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
1-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 61749839
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
1-(4H-1,2,4-Triazol-3-yl)ethan-1-ol
CID 21187528
1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 122163926
(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

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride (CID 126801829) is 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride is CC(O)c1ncn[nH]1.Cl.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride?
The InChIKey is SZLCHAKTKBLJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-3(8)4-5-2-6-7-4;/h2-3,8H,1H3,(H,5,6,7);1H.
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride?
1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride is sourced from PubChem (CID 126801829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).