[3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C12H17N5 — CID 117138284

IUPAC[3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nnc(CC3CCCN3)n2c1
InChIInChI=1S/C12H17N5/c13-7-9-3-4-11-15-16-12(17(11)8-9)6-10-2-1-5-14-10/h3-4,8,10,14H,1-2,5-7,13H2
InChIKeyUELGYXNVXUCOTH-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.48
Rot. Bonds3

About [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

[3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 117138284) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID117138284
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name[3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nnc(CC3CCCN3)n2c1
InChIInChI=1S/C12H17N5/c13-7-9-3-4-11-15-16-12(17(11)8-9)6-10-2-1-5-14-10/h3-4,8,10,14H,1-2,5-7,13H2
InChIKeyUELGYXNVXUCOTH-UHFFFAOYSA-N
XLogP0.48
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138282
[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138281
[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138303
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
[2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117134516
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
(3-piperidin-2-ylimidazo[1,5-a]pyridin-6-yl)methanamine
CID 117138268
1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 84744462
3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538872
4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 61370950

Frequently Asked Questions

What is the IUPAC name of [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 117138284) is [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is NCc1ccc2nnc(CC3CCCN3)n2c1.
What is the InChIKey of [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is UELGYXNVXUCOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-7-9-3-4-11-15-16-12(17(11)8-9)6-10-2-1-5-14-10/h3-4,8,10,14H,1-2,5-7,13H2.
What are the key properties of [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
[3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117138284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).