3-pentyl-[1,2,4]triazolo[4,3-a]pyridine

C11H15N3 — CID 134840704

IUPAC3-pentyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCCCc1nnc2ccccn12
InChIInChI=1S/C11H15N3/c1-2-3-4-7-10-12-13-11-8-5-6-9-14(10)11/h5-6,8-9H,2-4,7H2,1H3
InChIKeyADMLJRXIENTVKQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.46
Rot. Bonds4

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

3-pentyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 134840704) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-pentyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID134840704
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-pentyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCCCc1nnc2ccccn12
InChIInChI=1S/C11H15N3/c1-2-3-4-7-10-12-13-11-8-5-6-9-14(10)11/h5-6,8-9H,2-4,7H2,1H3
InChIKeyADMLJRXIENTVKQ-UHFFFAOYSA-N
XLogP2.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Imidazo(1,2-a)pyridine
CID 78960
3-Amino-(1,2,4)triazolo(4,3-a)pyridine
CID 253286
1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane
CID 327606
5-Chloro-3-ethyl-1,2,4-triazolo[4,3-a]pyridine
CID 324444
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
6-[4-(2-Pyridyl)piperazino][1,2,4]triazolo[4,3-B]pyridazine
CID 9550140
Pyridotetrazole
CID 136089
2-Methylimidazo[1,2-a]pyridin-3-amine
CID 15533833
2-Methyl-(1,2,4)triazolo(1,5-a)pyridin-8-amine
CID 590472
(1,2,4)Triazolo(1,5-a)pyridine
CID 67508
6,8-Difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415021
2-Methyl-7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 1472842

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine (CID 134840704) is 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine is CCCCCc1nnc2ccccn12.
What is the InChIKey of 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ADMLJRXIENTVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-4-7-10-12-13-11-8-5-6-9-14(10)11/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine?
3-pentyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 134840704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).