3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine

C9H9N3 — CID 68903381

IUPAC3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CCc1nnc2ccccn12
InChIInChI=1S/C9H9N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h2-4,6-7H,1,5H2
InChIKeyHVYXPGSCYHDZGF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.46
Rot. Bonds2

About 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine

3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 68903381) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID68903381
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CCc1nnc2ccccn12
InChIInChI=1S/C9H9N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h2-4,6-7H,1,5H2
InChIKeyHVYXPGSCYHDZGF-UHFFFAOYSA-N
XLogP1.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.46
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

2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
1-prop-2-enyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 136683172
3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39441999
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
CID 56723920
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
CID 117257025
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hex-5-en-2-amine
CID 104578555
3-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridine
CID 131165709
1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711073
3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117256976
1,2-dimethyl-1-pent-4-enyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 109498134
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine (CID 68903381) is 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine is C=CCc1nnc2ccccn12.
What is the InChIKey of 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HVYXPGSCYHDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-5-8-10-11-9-6-3-4-7-12(8)9/h2-4,6-7H,1,5H2.
What are the key properties of 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine?
3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 159.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 68903381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).