quinoline;5H-tetrazole-5-carbaldehyde

C11H9N5O — CID 174296767

IUPACquinoline;5H-tetrazole-5-carbaldehyde
SMILESO=CC1N=NN=N1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H2N4O/c1-2-6-9-8(4-1)5-3-7-10-9;7-1-2-3-5-6-4-2/h1-7H;1-2H
InChIKeyGJZBTCNACVYYAB-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.58
Rot. Bonds1

About quinoline;5H-tetrazole-5-carbaldehyde

quinoline;5H-tetrazole-5-carbaldehyde (PubChem CID 174296767) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is quinoline;5H-tetrazole-5-carbaldehyde.

Molecular Properties

Compound Namequinoline;5H-tetrazole-5-carbaldehyde
PubChem CID174296767
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Namequinoline;5H-tetrazole-5-carbaldehyde
SMILESO=CC1N=NN=N1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H2N4O/c1-2-6-9-8(4-1)5-3-7-10-9;7-1-2-3-5-6-4-2/h1-7H;1-2H
InChIKeyGJZBTCNACVYYAB-UHFFFAOYSA-N
XLogP2.58
TPSA79.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of quinoline;5H-tetrazole-5-carbaldehyde?
The IUPAC name of quinoline;5H-tetrazole-5-carbaldehyde (CID 174296767) is quinoline;5H-tetrazole-5-carbaldehyde.
What is the SMILES notation for quinoline;5H-tetrazole-5-carbaldehyde?
The canonical SMILES for quinoline;5H-tetrazole-5-carbaldehyde is O=CC1N=NN=N1.c1ccc2ncccc2c1.
What is the InChIKey of quinoline;5H-tetrazole-5-carbaldehyde?
The InChIKey is GJZBTCNACVYYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C2H2N4O/c1-2-6-9-8(4-1)5-3-7-10-9;7-1-2-3-5-6-4-2/h1-7H;1-2H.
What are the key properties of quinoline;5H-tetrazole-5-carbaldehyde?
quinoline;5H-tetrazole-5-carbaldehyde has a molecular weight of 227.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;5H-tetrazole-5-carbaldehyde is sourced from PubChem (CID 174296767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).