N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide

C15H22N4O — CID 71856322

IUPACN-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide
SMILESCCCCCCCC(=O)Nc1nnc2cc(C)ccn12
InChIInChI=1S/C15H22N4O/c1-3-4-5-6-7-8-14(20)16-15-18-17-13-11-12(2)9-10-19(13)15/h9-11H,3-8H2,1-2H3,(H,16,18,20)
InChIKeyRMOUFIDUZQPATO-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.34
Rot. Bonds7

About N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide

N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide (PubChem CID 71856322) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide.

Molecular Properties

Compound NameN-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide
PubChem CID71856322
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide
SMILESCCCCCCCC(=O)Nc1nnc2cc(C)ccn12
InChIInChI=1S/C15H22N4O/c1-3-4-5-6-7-8-14(20)16-15-18-17-13-11-12(2)9-10-19(13)15/h9-11H,3-8H2,1-2H3,(H,16,18,20)
InChIKeyRMOUFIDUZQPATO-UHFFFAOYSA-N
XLogP3.34
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
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 N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide?
The IUPAC name of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide (CID 71856322) is N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide.
What is the SMILES notation for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide?
The canonical SMILES for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide is CCCCCCCC(=O)Nc1nnc2cc(C)ccn12.
What is the InChIKey of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide?
The InChIKey is RMOUFIDUZQPATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-4-5-6-7-8-14(20)16-15-18-17-13-11-12(2)9-10-19(13)15/h9-11H,3-8H2,1-2H3,(H,16,18,20).
What are the key properties of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide?
N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide has a molecular weight of 274.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide is sourced from PubChem (CID 71856322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).