3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C9H13N3 — CID 148752448

IUPAC3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCc1nnc2n1CC=CC2
InChIInChI=1S/C9H13N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h3-4H,2,5-7H2,1H3
InChIKeyOEYLAWPJURBKIM-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.34
Rot. Bonds2

About 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 148752448) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID148752448
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCc1nnc2n1CC=CC2
InChIInChI=1S/C9H13N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h3-4H,2,5-7H2,1H3
InChIKeyOEYLAWPJURBKIM-UHFFFAOYSA-N
XLogP1.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10867177
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
Iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
CID 58240206
5-But-3-enyl-1,3,4-trimethyl-1,2,4-triazol-4-ium
CID 58997902
2-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299738
3-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59299764
3-Methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59451901
3,4-Bis(prop-2-enyl)-1,2,4-triazole
CID 67685086
3,4,5-Tris(prop-2-enyl)-1,2,4-triazole
CID 67831923
1,3,4,5-Tetrakis(prop-2-enyl)-1,2,4-triazol-4-ium iodide
CID 67831971
2-Methyl-5,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68072987

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 148752448) is 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CCCc1nnc2n1CC=CC2.
What is the InChIKey of 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OEYLAWPJURBKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h3-4H,2,5-7H2,1H3.
What are the key properties of 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 148752448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).