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

C4H7N3O — CID 22140765

IUPAC2-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOCCc1ncn[nH]1
InChIInChI=1S/C4H7N3O/c8-2-1-4-5-3-6-7-4/h3,8H,1-2H2,(H,5,6,7)
InChIKeyKNIARYZRPMJYFH-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.66
Rot. Bonds2

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

2-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 22140765) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID22140765
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOCCc1ncn[nH]1
InChIInChI=1S/C4H7N3O/c8-2-1-4-5-3-6-7-4/h3,8H,1-2H2,(H,5,6,7)
InChIKeyKNIARYZRPMJYFH-UHFFFAOYSA-N
XLogP-0.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1H-1,2,4-triazol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-1,2,4(1H)-triazole
CID 23891
2-(1H-1,2,4-triazol-3-yl)acetic acid
CID 20812034
(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-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 155943735
(2-Hydroxy-3-(1H-1,2,4-triazol-3-yl)propyl)phosphonic acid
CID 177982
2,2,2-trifluoro-1-(1H-1,2,4-triazol-3-yl)ethan-1-ol
CID 66467463
3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 67571305

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)ethanol (CID 22140765) is 2-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)ethanol is OCCc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is KNIARYZRPMJYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c8-2-1-4-5-3-6-7-4/h3,8H,1-2H2,(H,5,6,7).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)ethanol?
2-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 113.12 g/mol, XLogP of -0.66, 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 is sourced from PubChem (CID 22140765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).