5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine

C11H15N3O — CID 71479874

IUPAC5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCCCOc1cccc2nncn12
InChIInChI=1S/C11H15N3O/c1-2-3-4-8-15-11-7-5-6-10-13-12-9-14(10)11/h5-7,9H,2-4,8H2,1H3
InChIKeyOLFFMPJMKSLSCZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.30
Rot. Bonds5

About 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine

5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 71479874) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID71479874
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCCCOc1cccc2nncn12
InChIInChI=1S/C11H15N3O/c1-2-3-4-8-15-11-7-5-6-10-13-12-9-14(10)11/h5-7,9H,2-4,8H2,1H3
InChIKeyOLFFMPJMKSLSCZ-UHFFFAOYSA-N
XLogP2.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihexadecoxybenzene
CID 12686834
1,4-dipentoxybenzene
CID 18314717
2-methyl-6-pentoxypyridine
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1,2,3-tridodecoxybenzene
CID 11308140
2-decoxy-1,3-dimethylbenzene
CID 83057478
1,2,3-trihexadecoxybenzene
CID 15518170
8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 125496106
6-pentoxypyridine-2-carbonitrile
CID 64594194
2,2,4,4,6,6-hexakis(4-dodecoxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 101164150
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2,6-diheptoxyphenol
CID 57426104

Frequently Asked Questions

What is the IUPAC name of 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 71479874) is 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine is CCCCCOc1cccc2nncn12.
What is the InChIKey of 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OLFFMPJMKSLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-4-8-15-11-7-5-6-10-13-12-9-14(10)11/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine?
5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 205.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 71479874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).