2-(3-azido-1,2,4-triazol-1-yl)ethanol

C4H6N6O — CID 23250692

IUPAC2-(3-azido-1,2,4-triazol-1-yl)ethanol
SMILES[N-]=[N+]=Nc1ncn(CCO)n1
InChIInChI=1S/C4H6N6O/c5-9-7-4-6-3-10(8-4)1-2-11/h3,11H,1-2H2
InChIKeyPAEKZULDRHVFHG-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.21
Rot. Bonds3

About 2-(3-azido-1,2,4-triazol-1-yl)ethanol

2-(3-azido-1,2,4-triazol-1-yl)ethanol (PubChem CID 23250692) has the molecular formula C4H6N6O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(3-azido-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-azido-1,2,4-triazol-1-yl)ethanol
PubChem CID23250692
Molecular FormulaC4H6N6O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-(3-azido-1,2,4-triazol-1-yl)ethanol
SMILES[N-]=[N+]=Nc1ncn(CCO)n1
InChIInChI=1S/C4H6N6O/c5-9-7-4-6-3-10(8-4)1-2-11/h3,11H,1-2H2
InChIKeyPAEKZULDRHVFHG-UHFFFAOYSA-N
XLogP0.21
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 550925
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CID 119031805
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CID 15893228
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CID 67001198
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CID 99819080
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CID 91641330
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CID 21249467
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CID 117763769
CID 117763769

Frequently Asked Questions

What is the IUPAC name of 2-(3-azido-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(3-azido-1,2,4-triazol-1-yl)ethanol (CID 23250692) is 2-(3-azido-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-azido-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(3-azido-1,2,4-triazol-1-yl)ethanol is [N-]=[N+]=Nc1ncn(CCO)n1.
What is the InChIKey of 2-(3-azido-1,2,4-triazol-1-yl)ethanol?
The InChIKey is PAEKZULDRHVFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O/c5-9-7-4-6-3-10(8-4)1-2-11/h3,11H,1-2H2.
What are the key properties of 2-(3-azido-1,2,4-triazol-1-yl)ethanol?
2-(3-azido-1,2,4-triazol-1-yl)ethanol has a molecular weight of 154.13 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azido-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 23250692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).