5-azido-1-methyltetrazole

C2H3N7 — CID 80583588

IUPAC5-azido-1-methyltetrazole
SMILESCn1nnnc1N=[N+]=[N-]
InChIInChI=1S/C2H3N7/c1-9-2(4-6-3)5-7-8-9/h1H3
InChIKeyLXHLOGJRPBGANF-UHFFFAOYSA-N
MW125.09 g/mol
LogP0.15
Rot. Bonds1

About 5-azido-1-methyltetrazole

5-azido-1-methyltetrazole (PubChem CID 80583588) has the molecular formula C2H3N7 and a molecular weight of 125.09 g/mol. Its IUPAC name is 5-azido-1-methyltetrazole.

Molecular Properties

Compound Name5-azido-1-methyltetrazole
PubChem CID80583588
Molecular FormulaC2H3N7
Molecular Weight125.09 g/mol
Exact Mass125.04
IUPAC Name5-azido-1-methyltetrazole
SMILESCn1nnnc1N=[N+]=[N-]
InChIInChI=1S/C2H3N7/c1-9-2(4-6-3)5-7-8-9/h1H3
InChIKeyLXHLOGJRPBGANF-UHFFFAOYSA-N
XLogP0.15
TPSA92.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 50.15
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-azido-1-methyltetrazole?
The IUPAC name of 5-azido-1-methyltetrazole (CID 80583588) is 5-azido-1-methyltetrazole.
What is the SMILES notation for 5-azido-1-methyltetrazole?
The canonical SMILES for 5-azido-1-methyltetrazole is Cn1nnnc1N=[N+]=[N-].
What is the InChIKey of 5-azido-1-methyltetrazole?
The InChIKey is LXHLOGJRPBGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N7/c1-9-2(4-6-3)5-7-8-9/h1H3.
What are the key properties of 5-azido-1-methyltetrazole?
5-azido-1-methyltetrazole has a molecular weight of 125.09 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1-methyltetrazole is sourced from PubChem (CID 80583588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).