2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H15N3O — CID 101484712

IUPAC2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H15N3O/c1-2-3-5-9-14-11(15)13-8-6-4-7-10(13)12-14/h4,6-8H,2-3,5,9H2,1H3
InChIKeyQIEKBGRFQRAKJQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.69
Rot. Bonds4

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

2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 101484712) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID101484712
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H15N3O/c1-2-3-5-9-14-11(15)13-8-6-4-7-10(13)12-14/h4,6-8H,2-3,5,9H2,1H3
InChIKeyQIEKBGRFQRAKJQ-UHFFFAOYSA-N
XLogP1.69
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 101484712) is 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QIEKBGRFQRAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-5-9-14-11(15)13-8-6-4-7-10(13)12-14/h4,6-8H,2-3,5,9H2,1H3.
What are the key properties of 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 101484712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).