[3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

C13H19N5 — CID 117145686

IUPAC[3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESCN1CCC(Cc2nnc3c(CN)cccn23)C1
InChIInChI=1S/C13H19N5/c1-17-6-4-10(9-17)7-12-15-16-13-11(8-14)3-2-5-18(12)13/h2-3,5,10H,4,6-9,14H2,1H3
InChIKeyWJHWWCKKAGAHDV-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.68
Rot. Bonds3

About [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

[3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (PubChem CID 117145686) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
PubChem CID117145686
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESCN1CCC(Cc2nnc3c(CN)cccn23)C1
InChIInChI=1S/C13H19N5/c1-17-6-4-10(9-17)7-12-15-16-13-11(8-14)3-2-5-18(12)13/h2-3,5,10H,4,6-9,14H2,1H3
InChIKeyWJHWWCKKAGAHDV-UHFFFAOYSA-N
XLogP0.68
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine 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-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145787
[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145672
8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146365
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143246
8-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146338
3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146785
3-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146384
2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 84662847
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140734
[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145664
5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141381
[3-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145785

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The IUPAC name of [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (CID 117145686) is [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The canonical SMILES for [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is CN1CCC(Cc2nnc3c(CN)cccn23)C1.
What is the InChIKey of [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The InChIKey is WJHWWCKKAGAHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17-6-4-10(9-17)7-12-15-16-13-11(8-14)3-2-5-18(12)13/h2-3,5,10H,4,6-9,14H2,1H3.
What are the key properties of [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
[3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 117145686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).