5,8-dihydrotetrazolo[1,5-a]pyridine

C5H6N4 — CID 91400686

IUPAC5,8-dihydrotetrazolo[1,5-a]pyridine
SMILESC1=CCn2nnnc2C1
InChIInChI=1S/C5H6N4/c1-2-4-9-5(3-1)6-7-8-9/h1-2H,3-4H2
InChIKeyGOOCCEWQZDTSES-UHFFFAOYSA-N
MW122.13 g/mol
LogP-0.21
Rot. Bonds

About 5,8-dihydrotetrazolo[1,5-a]pyridine

5,8-dihydrotetrazolo[1,5-a]pyridine (PubChem CID 91400686) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 5,8-dihydrotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,8-dihydrotetrazolo[1,5-a]pyridine
PubChem CID91400686
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name5,8-dihydrotetrazolo[1,5-a]pyridine
SMILESC1=CCn2nnnc2C1
InChIInChI=1S/C5H6N4/c1-2-4-9-5(3-1)6-7-8-9/h1-2H,3-4H2
InChIKeyGOOCCEWQZDTSES-UHFFFAOYSA-N
XLogP-0.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydrotetrazolo[1,5-a]pyridine?
The IUPAC name of 5,8-dihydrotetrazolo[1,5-a]pyridine (CID 91400686) is 5,8-dihydrotetrazolo[1,5-a]pyridine.
What is the SMILES notation for 5,8-dihydrotetrazolo[1,5-a]pyridine?
The canonical SMILES for 5,8-dihydrotetrazolo[1,5-a]pyridine is C1=CCn2nnnc2C1.
What is the InChIKey of 5,8-dihydrotetrazolo[1,5-a]pyridine?
The InChIKey is GOOCCEWQZDTSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c1-2-4-9-5(3-1)6-7-8-9/h1-2H,3-4H2.
What are the key properties of 5,8-dihydrotetrazolo[1,5-a]pyridine?
5,8-dihydrotetrazolo[1,5-a]pyridine has a molecular weight of 122.13 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydrotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 91400686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).