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

C4H8N4O — CID 62677329

IUPAC2-(5-amino-1,2,4-triazol-1-yl)ethanol
SMILESNc1ncnn1CCO
InChIInChI=1S/C4H8N4O/c5-4-6-3-7-8(4)1-2-9/h3,9H,1-2H2,(H2,5,6,7)
InChIKeyZKUGDAIEPPGCMR-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.15
Rot. Bonds2

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

2-(5-amino-1,2,4-triazol-1-yl)ethanol (PubChem CID 62677329) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-1,2,4-triazol-1-yl)ethanol
PubChem CID62677329
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name2-(5-amino-1,2,4-triazol-1-yl)ethanol
SMILESNc1ncnn1CCO
InChIInChI=1S/C4H8N4O/c5-4-6-3-7-8(4)1-2-9/h3,9H,1-2H2,(H2,5,6,7)
InChIKeyZKUGDAIEPPGCMR-UHFFFAOYSA-N
XLogP-1.15
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-1,2,4-triazol-1-yl)ethanol (CID 62677329) is 2-(5-amino-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-1,2,4-triazol-1-yl)ethanol is Nc1ncnn1CCO.
What is the InChIKey of 2-(5-amino-1,2,4-triazol-1-yl)ethanol?
The InChIKey is ZKUGDAIEPPGCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-4-6-3-7-8(4)1-2-9/h3,9H,1-2H2,(H2,5,6,7).
What are the key properties of 2-(5-amino-1,2,4-triazol-1-yl)ethanol?
2-(5-amino-1,2,4-triazol-1-yl)ethanol has a molecular weight of 128.13 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 62677329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).