N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

C10H16N4O — CID 47228579

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCCC(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C10H16N4O/c1-2-10(15)11-7-9-13-12-8-5-3-4-6-14(8)9/h2-7H2,1H3,(H,11,15)
InChIKeyIOOTXFHTMOUUHM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.64
Rot. Bonds3

About N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 47228579) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID47228579
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCCC(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C10H16N4O/c1-2-10(15)11-7-9-13-12-8-5-3-4-6-14(8)9/h2-7H2,1H3,(H,11,15)
InChIKeyIOOTXFHTMOUUHM-UHFFFAOYSA-N
XLogP0.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 47228579) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is CCC(=O)NCc1nnc2n1CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is IOOTXFHTMOUUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-10(15)11-7-9-13-12-8-5-3-4-6-14(8)9/h2-7H2,1H3,(H,11,15).
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 47228579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).