2-azido-1-(2-methyltetrazol-5-yl)ethanol

C4H7N7O — CID 4164854

IUPAC2-azido-1-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(C(O)CN=[N+]=[N-])n1
InChIInChI=1S/C4H7N7O/c1-11-8-4(7-10-11)3(12)2-6-9-5/h3,12H,2H2,1H3
InChIKeyXHXZLDLJMKZLSC-UHFFFAOYSA-N
MW169.15 g/mol
LogP-0.45
Rot. Bonds3

About 2-azido-1-(2-methyltetrazol-5-yl)ethanol

2-azido-1-(2-methyltetrazol-5-yl)ethanol (PubChem CID 4164854) has the molecular formula C4H7N7O and a molecular weight of 169.15 g/mol. Its IUPAC name is 2-azido-1-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-azido-1-(2-methyltetrazol-5-yl)ethanol
PubChem CID4164854
Molecular FormulaC4H7N7O
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name2-azido-1-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(C(O)CN=[N+]=[N-])n1
InChIInChI=1S/C4H7N7O/c1-11-8-4(7-10-11)3(12)2-6-9-5/h3,12H,2H2,1H3
InChIKeyXHXZLDLJMKZLSC-UHFFFAOYSA-N
XLogP-0.45
TPSA112.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol
CID 130758214
2-azido-1-(1-methyltriazol-4-yl)ethanol
CID 165492311
(1S)-2-azido-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83092774
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylethanol
CID 127004646
2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
CID 165446658
1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride
CID 53314595
(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
CID 83092772
(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83092486
methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate
CID 127004730
2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol
CID 170225037
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
2-azido-1-(5-methylthiophen-2-yl)ethanol
CID 83093251

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 2-azido-1-(2-methyltetrazol-5-yl)ethanol (CID 4164854) is 2-azido-1-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 2-azido-1-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 2-azido-1-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(C(O)CN=[N+]=[N-])n1.
What is the InChIKey of 2-azido-1-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is XHXZLDLJMKZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N7O/c1-11-8-4(7-10-11)3(12)2-6-9-5/h3,12H,2H2,1H3.
What are the key properties of 2-azido-1-(2-methyltetrazol-5-yl)ethanol?
2-azido-1-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 169.15 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 4164854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).