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

C4H8ClN3O — CID 155943735

IUPAC2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride
SMILESCl.OCCc1ncn[nH]1
InChIInChI=1S/C4H7N3O.ClH/c8-2-1-4-5-3-6-7-4;/h3,8H,1-2H2,(H,5,6,7);1H
InChIKeyOXKRLTSOIRRLPS-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.24
Rot. Bonds2

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

2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride (PubChem CID 155943735) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride
PubChem CID155943735
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride
SMILESCl.OCCc1ncn[nH]1
InChIInChI=1S/C4H7N3O.ClH/c8-2-1-4-5-3-6-7-4;/h3,8H,1-2H2,(H,5,6,7);1H
InChIKeyOXKRLTSOIRRLPS-UHFFFAOYSA-N
XLogP-0.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1H-1,2,4-triazol-3-yl)methanol
CID 424449
1-(4H-1,2,4-Triazol-3-yl)ethan-1-ol
CID 21187528
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 65600773
1-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 126801829
1-(4H-1,2,4-Triazol-3-yl)propan-1-ol hydrochloride
CID 137964058
(1R)-1-(1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 155822124
(2-Hydroxy-3-(1H-1,2,4-triazol-3-yl)propyl)phosphonic acid
CID 177982
2-(1H-1,2,4-triazol-3-yl)ethan-1-ol
CID 22140765
3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 67571305
(1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 24194195
1,1,1-trifluoro-3-(1H-1,2,4-triazol-3-yl)propan-2-ol
CID 165632651
2,2-difluoro-2-(1H-1,2,4-triazol-3-yl)ethan-1-ol
CID 165693684

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride (CID 155943735) is 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride is Cl.OCCc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride?
The InChIKey is OXKRLTSOIRRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c8-2-1-4-5-3-6-7-4;/h3,8H,1-2H2,(H,5,6,7);1H.
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride?
2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride is sourced from PubChem (CID 155943735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).