N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C13H18N4O2 — CID 68796072

IUPACN-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCCCCCNC(=O)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C13H18N4O2/c1-2-3-4-5-8-14-12(18)10-6-7-11-15-16-13(19)17(11)9-10/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,16,19)
InChIKeyHYSPGKPZPLUEQS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.33
Rot. Bonds6

About N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 68796072) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID68796072
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCCCCCNC(=O)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C13H18N4O2/c1-2-3-4-5-8-14-12(18)10-6-7-11-15-16-13(19)17(11)9-10/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,16,19)
InChIKeyHYSPGKPZPLUEQS-UHFFFAOYSA-N
XLogP1.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 112708097
N-cyclopropyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 112707994
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
N-dodecyl-1H-pyrrole-3-carboxamide
CID 175440908
2,3-bis(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 24743398
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166361768
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
N-hexylpyridine-4-carboxamide
CID 3423732

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 68796072) is N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCCCCCNC(=O)c1ccc2n[nH]c(=O)n2c1.
What is the InChIKey of N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is HYSPGKPZPLUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-3-4-5-8-14-12(18)10-6-7-11-15-16-13(19)17(11)9-10/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,16,19).
What are the key properties of N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 68796072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).