1-azidotetrazole-5-carboxylic acid

C2HN7O2 — CID 90273187

IUPAC1-azidotetrazole-5-carboxylic acid
SMILES[N-]=[N+]=Nn1nnnc1C(=O)O
InChIInChI=1S/C2HN7O2/c3-5-7-9-1(2(10)11)4-6-8-9/h(H,10,11)
InChIKeyCHRTXPBOXPIZIN-UHFFFAOYSA-N
MW155.08 g/mol
LogP-0.56
Rot. Bonds2

About 1-azidotetrazole-5-carboxylic acid

1-azidotetrazole-5-carboxylic acid (PubChem CID 90273187) has the molecular formula C2HN7O2 and a molecular weight of 155.08 g/mol. Its IUPAC name is 1-azidotetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-azidotetrazole-5-carboxylic acid
PubChem CID90273187
Molecular FormulaC2HN7O2
Molecular Weight155.08 g/mol
Exact Mass155.02
IUPAC Name1-azidotetrazole-5-carboxylic acid
SMILES[N-]=[N+]=Nn1nnnc1C(=O)O
InChIInChI=1S/C2HN7O2/c3-5-7-9-1(2(10)11)4-6-8-9/h(H,10,11)
InChIKeyCHRTXPBOXPIZIN-UHFFFAOYSA-N
XLogP-0.56
TPSA129.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.08
LogP ≤ 5-0.56
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

1-azidotetrazol-5-amine;zinc
CID 175217844
1-sulfanyltetrazole-5-carboxylic acid
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CID 158718346
1-ethyltetrazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67838435
5-azido-1-hydroxytetrazole
CID 56844162
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985
1-(4-fluorophenyl)tetrazole-5-carboxylic acid
CID 83883582
copper bis(1-chlorotetrazole-5-carboxylate)
CID 70469364
1-methyltetrazole-5-carboxylic acid;2-methyltetrazole-5-carboxylic acid
CID 157240342
azanium 1-nitramidotetrazole-5-carboxylate
CID 162335600
4,5-diamino-1,2,4-triazole-3-carboxylic acid
CID 130847623
8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid
CID 59696730

Frequently Asked Questions

What is the IUPAC name of 1-azidotetrazole-5-carboxylic acid?
The IUPAC name of 1-azidotetrazole-5-carboxylic acid (CID 90273187) is 1-azidotetrazole-5-carboxylic acid.
What is the SMILES notation for 1-azidotetrazole-5-carboxylic acid?
The canonical SMILES for 1-azidotetrazole-5-carboxylic acid is [N-]=[N+]=Nn1nnnc1C(=O)O.
What is the InChIKey of 1-azidotetrazole-5-carboxylic acid?
The InChIKey is CHRTXPBOXPIZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HN7O2/c3-5-7-9-1(2(10)11)4-6-8-9/h(H,10,11).
What are the key properties of 1-azidotetrazole-5-carboxylic acid?
1-azidotetrazole-5-carboxylic acid has a molecular weight of 155.08 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidotetrazole-5-carboxylic acid is sourced from PubChem (CID 90273187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).