5-azido-1-hydroxytetrazole

CHN7O — CID 56844162

IUPAC5-azido-1-hydroxytetrazole
SMILES[N-]=[N+]=Nc1nnnn1O
InChIInChI=1S/CHN7O/c2-5-3-1-4-6-7-8(1)9/h9H
InChIKeyBUHURBMDVQPHBC-UHFFFAOYSA-N
MW127.07 g/mol
LogP-0.15
Rot. Bonds1

About 5-azido-1-hydroxytetrazole

5-azido-1-hydroxytetrazole (PubChem CID 56844162) has the molecular formula CHN7O and a molecular weight of 127.07 g/mol. Its IUPAC name is 5-azido-1-hydroxytetrazole.

Molecular Properties

Compound Name5-azido-1-hydroxytetrazole
PubChem CID56844162
Molecular FormulaCHN7O
Molecular Weight127.07 g/mol
Exact Mass127.02
IUPAC Name5-azido-1-hydroxytetrazole
SMILES[N-]=[N+]=Nc1nnnn1O
InChIInChI=1S/CHN7O/c2-5-3-1-4-6-7-8(1)9/h9H
InChIKeyBUHURBMDVQPHBC-UHFFFAOYSA-N
XLogP-0.15
TPSA112.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.07
LogP ≤ 5-0.15
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': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-1-hydroxytetrazole?
The IUPAC name of 5-azido-1-hydroxytetrazole (CID 56844162) is 5-azido-1-hydroxytetrazole.
What is the SMILES notation for 5-azido-1-hydroxytetrazole?
The canonical SMILES for 5-azido-1-hydroxytetrazole is [N-]=[N+]=Nc1nnnn1O.
What is the InChIKey of 5-azido-1-hydroxytetrazole?
The InChIKey is BUHURBMDVQPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN7O/c2-5-3-1-4-6-7-8(1)9/h9H.
What are the key properties of 5-azido-1-hydroxytetrazole?
5-azido-1-hydroxytetrazole has a molecular weight of 127.07 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1-hydroxytetrazole is sourced from PubChem (CID 56844162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).