4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

C6H9N3 — CID 15425501

IUPAC4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESc1nnn2c1CCCC2
InChIInChI=1S/C6H9N3/c1-2-4-9-6(3-1)5-7-8-9/h5H,1-4H2
InChIKeyDDORCPXVFKBLCQ-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.61
Rot. Bonds

About 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (PubChem CID 15425501) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
PubChem CID15425501
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESc1nnn2c1CCCC2
InChIInChI=1S/C6H9N3/c1-2-4-9-6(3-1)5-7-8-9/h5H,1-4H2
InChIKeyDDORCPXVFKBLCQ-UHFFFAOYSA-N
XLogP0.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The IUPAC name of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (CID 15425501) is 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is c1nnn2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The InChIKey is DDORCPXVFKBLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-4-9-6(3-1)5-7-8-9/h5H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine has a molecular weight of 123.16 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is sourced from PubChem (CID 15425501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).