N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C14H20N4O2 — CID 111483300

IUPACN-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc2nnc(C)n2c1
InChIInChI=1S/C14H20N4O2/c1-4-14(20,5-2)9-15-13(19)11-6-7-12-17-16-10(3)18(12)8-11/h6-8,20H,4-5,9H2,1-3H3,(H,15,19)
InChIKeyYIOYEBPRMVWMLW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 111483300) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID111483300
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc2nnc(C)n2c1
InChIInChI=1S/C14H20N4O2/c1-4-14(20,5-2)9-15-13(19)11-6-7-12-17-16-10(3)18(12)8-11/h6-8,20H,4-5,9H2,1-3H3,(H,15,19)
InChIKeyYIOYEBPRMVWMLW-UHFFFAOYSA-N
XLogP1.32
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111481180
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111482211
N-(3-ethyl-2-hydroxypentyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111115737
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111471083
3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
(2S)-3-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid
CID 119359358
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 109387957
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71991071
3-ethoxy-2,2-dimethyl-1-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120700023

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 111483300) is N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCC(O)(CC)CNC(=O)c1ccc2nnc(C)n2c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is YIOYEBPRMVWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-14(20,5-2)9-15-13(19)11-6-7-12-17-16-10(3)18(12)8-11/h6-8,20H,4-5,9H2,1-3H3,(H,15,19).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 111483300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).