2-azido-1-(1-methyltriazol-4-yl)ethanol

C5H8N6O — CID 165492311

IUPAC2-azido-1-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(C(O)CN=[N+]=[N-])nn1
InChIInChI=1S/C5H8N6O/c1-11-3-4(8-10-11)5(12)2-7-9-6/h3,5,12H,2H2,1H3
InChIKeyNMMXBIXPHGYVHK-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.16
Rot. Bonds3

About 2-azido-1-(1-methyltriazol-4-yl)ethanol

2-azido-1-(1-methyltriazol-4-yl)ethanol (PubChem CID 165492311) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-azido-1-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-azido-1-(1-methyltriazol-4-yl)ethanol
PubChem CID165492311
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-azido-1-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(C(O)CN=[N+]=[N-])nn1
InChIInChI=1S/C5H8N6O/c1-11-3-4(8-10-11)5(12)2-7-9-6/h3,5,12H,2H2,1H3
InChIKeyNMMXBIXPHGYVHK-UHFFFAOYSA-N
XLogP0.16
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.16
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

(1S)-2-azido-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83092774
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
CID 96735449
2-azido-1-(2-methyltetrazol-5-yl)ethanol
CID 4164854
3-hydroxy-3-(1-methyltriazol-4-yl)propanal
CID 130599232
(1S)-2-azido-1-pyrazin-2-ylethanol
CID 83092675
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
CID 107052776
(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
CID 130602732
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
CID 148834099
2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602359
2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602705
2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
CID 112735961
(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide
CID 130598575

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 2-azido-1-(1-methyltriazol-4-yl)ethanol (CID 165492311) is 2-azido-1-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-azido-1-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 2-azido-1-(1-methyltriazol-4-yl)ethanol is Cn1cc(C(O)CN=[N+]=[N-])nn1.
What is the InChIKey of 2-azido-1-(1-methyltriazol-4-yl)ethanol?
The InChIKey is NMMXBIXPHGYVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c1-11-3-4(8-10-11)5(12)2-7-9-6/h3,5,12H,2H2,1H3.
What are the key properties of 2-azido-1-(1-methyltriazol-4-yl)ethanol?
2-azido-1-(1-methyltriazol-4-yl)ethanol has a molecular weight of 168.16 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 165492311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).