3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C11H15N5 — CID 117256946

IUPAC3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1cccc2nnc(CN3CCCC3)n12
InChIInChI=1S/C11H15N5/c12-9-4-3-5-10-13-14-11(16(9)10)8-15-6-1-2-7-15/h3-5H,1-2,6-8,12H2
InChIKeyLYWAEDSAOMGAJN-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.91
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117256946) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117256946
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1cccc2nnc(CN3CCCC3)n12
InChIInChI=1S/C11H15N5/c12-9-4-3-5-10-13-14-11(16(9)10)8-15-6-1-2-7-15/h3-5H,1-2,6-8,12H2
InChIKeyLYWAEDSAOMGAJN-UHFFFAOYSA-N
XLogP0.91
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-methylsulfonylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 82387935
[3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140939
2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117257524
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117257021
5-[1-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 56941623
2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridin-5-amine
CID 117133268
2-(azocan-1-ylmethyl)-3-bromoaniline
CID 43349679
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255986
3-(azepan-1-ylmethyl)aniline
CID 6484183

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117256946) is 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Nc1cccc2nnc(CN3CCCC3)n12.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is LYWAEDSAOMGAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-9-4-3-5-10-13-14-11(16(9)10)8-15-6-1-2-7-15/h3-5H,1-2,6-8,12H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 217.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117256946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).