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

C11H14N4O — CID 39030819

IUPAC3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C11H14N4O/c1-8(2)7-10(16)12-11-14-13-9-5-3-4-6-15(9)11/h3-6,8H,7H2,1-2H3,(H,12,14,16)
InChIKeySPCPUIMRLNGPPX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.71
Rot. Bonds3

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

3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 39030819) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID39030819
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1nnc2ccccn12
InChIInChI=1S/C11H14N4O/c1-8(2)7-10(16)12-11-14-13-9-5-3-4-6-15(9)11/h3-6,8H,7H2,1-2H3,(H,12,14,16)
InChIKeySPCPUIMRLNGPPX-UHFFFAOYSA-N
XLogP1.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 39030819) is 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is CC(C)CC(=O)Nc1nnc2ccccn12.
What is the InChIKey of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is SPCPUIMRLNGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(2)7-10(16)12-11-14-13-9-5-3-4-6-15(9)11/h3-6,8H,7H2,1-2H3,(H,12,14,16).
What are the key properties of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 218.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 39030819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).