3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

C6H9N3 — CID 91801683

IUPAC3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESC1=C2CN=NN2CCC1
InChIInChI=1S/C6H9N3/c1-2-4-9-6(3-1)5-7-8-9/h3H,1-2,4-5H2
InChIKeyGBFHIKBMORSFEK-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.35
Rot. Bonds

About 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (PubChem CID 91801683) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
PubChem CID91801683
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESC1=C2CN=NN2CCC1
InChIInChI=1S/C6H9N3/c1-2-4-9-6(3-1)5-7-8-9/h3H,1-2,4-5H2
InChIKeyGBFHIKBMORSFEK-UHFFFAOYSA-N
XLogP1.35
TPSA27.96 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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-1-prop-2-enyl-3a,4-dihydrobenzotriazole
CID 146594720
1-Butyl-6-fluoro-3a,4-dihydrobenzotriazole
CID 146594721
1-Ethyl-6-methyl-3a,4-dihydrobenzotriazole
CID 138535114
1-Butan-2-yl-5,6-dihydrobenzotriazole
CID 165130769

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The IUPAC name of 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (CID 91801683) is 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.
What is the SMILES notation for 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The canonical SMILES for 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is C1=C2CN=NN2CCC1.
What is the InChIKey of 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The InChIKey is GBFHIKBMORSFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-4-9-6(3-1)5-7-8-9/h3H,1-2,4-5H2.
What are the key properties of 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine has a molecular weight of 123.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is sourced from PubChem (CID 91801683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).