3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C9H15N3 — CID 89190833

IUPAC3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCc1nnc2n1CCCC2
InChIInChI=1S/C9H15N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h2-7H2,1H3
InChIKeyGDZYFSAMBOGWLL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.57
Rot. Bonds2

About 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 89190833) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID89190833
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCc1nnc2n1CCCC2
InChIInChI=1S/C9H15N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h2-7H2,1H3
InChIKeyGDZYFSAMBOGWLL-UHFFFAOYSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 89190833) is 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CCCc1nnc2n1CCCC2.
What is the InChIKey of 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GDZYFSAMBOGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h2-7H2,1H3.
What are the key properties of 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 165.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 89190833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).