2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol

C6H10N6O — CID 137465706

IUPAC2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol
SMILESCCc1nc(N=[N+]=[N-])nn1CCO
InChIInChI=1S/C6H10N6O/c1-2-5-8-6(9-11-7)10-12(5)3-4-13/h13H,2-4H2,1H3
InChIKeyJXSYEKXXLJGFKB-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.77
Rot. Bonds4

About 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol

2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol (PubChem CID 137465706) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol
PubChem CID137465706
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol
SMILESCCc1nc(N=[N+]=[N-])nn1CCO
InChIInChI=1S/C6H10N6O/c1-2-5-8-6(9-11-7)10-12(5)3-4-13/h13H,2-4H2,1H3
InChIKeyJXSYEKXXLJGFKB-UHFFFAOYSA-N
XLogP0.77
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.77
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

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
(1-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 126802643
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 65600773
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 165997726

Frequently Asked Questions

What is the IUPAC name of 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol (CID 137465706) is 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol is CCc1nc(N=[N+]=[N-])nn1CCO.
What is the InChIKey of 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is JXSYEKXXLJGFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c1-2-5-8-6(9-11-7)10-12(5)3-4-13/h13H,2-4H2,1H3.
What are the key properties of 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol?
2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 182.19 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azido-5-ethyl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 137465706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).